1,4-bis(3-methylbutyl)triazole;1-(3-methylbutyl)-5-(5-methylhexyl)triazole;5-(3-methylbutyl)-1-(5-methylhexyl)triazole;4-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(3-methylbutyl)-1-(4-methylpentyl)triazole;1-(5-methylhexyl)-5-(4-methylpentyl)triazole;1-(5-methylhexyl)-4-(2-methylpropyl)triazole;1-(5-methylhexyl)-5-(2-methylpropyl)triazole;4-(5-methylhexyl)-1-(2-methylpropyl)triazole;5-(5-methylhexyl)-1-(2-methylpropyl)triazole;1-(4-methylpentyl)-4-(2-methylpropyl)triazole;4-(4-methylpentyl)-1-(2-methylpropyl)triazole

C157H302N36 — CID 160666875

IUPAC1,4-bis(3-methylbutyl)triazole;1-(3-methylbutyl)-5-(5-methylhexyl)triazole;5-(3-methylbutyl)-1-(5-methylhexyl)triazole;4-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(3-methylbutyl)-1-(4-methylpentyl)triazole;1-(5-methylhexyl)-5-(4-methylpentyl)triazole;1-(5-methylhexyl)-4-(2-methylpropyl)triazole;1-(5-methylhexyl)-5-(2-methylpropyl)triazole;4-(5-methylhexyl)-1-(2-methylpropyl)triazole;5-(5-methylhexyl)-1-(2-methylpropyl)triazole;1-(4-methylpentyl)-4-(2-methylpropyl)triazole;4-(4-methylpentyl)-1-(2-methylpropyl)triazole
SMILESCC(C)CCCCc1cn(CC(C)C)nn1.CC(C)CCCCc1cnnn1CC(C)C.CC(C)CCCCc1cnnn1CCC(C)C.CC(C)CCCCn1cc(CC(C)C)nn1.CC(C)CCCCn1nncc1CC(C)C.CC(C)CCCCn1nncc1CCC(C)C.CC(C)CCCCn1nncc1CCCC(C)C.CC(C)CCCc1cn(CC(C)C)nn1.CC(C)CCCn1cc(CC(C)C)nn1.CC(C)CCCn1cc(CCC(C)C)nn1.CC(C)CCCn1nncc1CCC(C)C.CC(C)CCc1cn(CCC(C)C)nn1
InChIInChI=1S/C15H29N3.2C14H27N3.6C13H25N3.3C12H23N3/c1-13(2)8-5-6-11-18-15(12-16-17-18)10-7-9-14(3)4;1-12(2)7-5-6-10-17-14(11-15-16-17)9-8-13(3)4;1-12(2)7-5-6-8-14-11-15-16-17(14)10-9-13(3)4;1-11(2)6-5-9-16-10-13(14-15-16)8-7-12(3)4;1-11(2)6-5-9-16-13(10-14-15-16)8-7-12(3)4;1-11(2)7-5-6-8-13-9-14-15-16(13)10-12(3)4;1-11(2)7-5-6-8-16-10-13(14-15-16)9-12(3)4;1-11(2)7-5-6-8-16-13(9-12(3)4)10-14-15-16;1-11(2)7-5-6-8-13-10-16(15-14-13)9-12(3)4;1-10(2)5-6-12-9-15(14-13-12)8-7-11(3)4;1-10(2)6-5-7-15-9-12(13-14-15)8-11(3)4;1-10(2)6-5-7-12-9-15(14-13-12)8-11(3)4/h12-14H,5-11H2,1-4H3;2*11-13H,5-10H2,1-4H3;2*10-12H,5-9H2,1-4H3;9,11-12H,5-8,10H2,1-4H3;3*10-12H,5-9H2,1-4H3;3*9-11H,5-8H2,1-4H3
InChIKeyRMKNVQRCKPENLL-UHFFFAOYSA-N
MW2694.39 g/mol
LogP40.02
Rot. Bonds85

About 1,4-bis(3-methylbutyl)triazole;1-(3-methylbutyl)-5-(5-methylhexyl)triazole;5-(3-methylbutyl)-1-(5-methylhexyl)triazole;4-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(3-methylbutyl)-1-(4-methylpentyl)triazole;1-(5-methylhexyl)-5-(4-methylpentyl)triazole;1-(5-methylhexyl)-4-(2-methylpropyl)triazole;1-(5-methylhexyl)-5-(2-methylpropyl)triazole;4-(5-methylhexyl)-1-(2-methylpropyl)triazole;5-(5-methylhexyl)-1-(2-methylpropyl)triazole;1-(4-methylpentyl)-4-(2-methylpropyl)triazole;4-(4-methylpentyl)-1-(2-methylpropyl)triazole

1,4-bis(3-methylbutyl)triazole;1-(3-methylbutyl)-5-(5-methylhexyl)triazole;5-(3-methylbutyl)-1-(5-methylhexyl)triazole;4-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(3-methylbutyl)-1-(4-methylpentyl)triazole;1-(5-methylhexyl)-5-(4-methylpentyl)triazole;1-(5-methylhexyl)-4-(2-methylpropyl)triazole;1-(5-methylhexyl)-5-(2-methylpropyl)triazole;4-(5-methylhexyl)-1-(2-methylpropyl)triazole;5-(5-methylhexyl)-1-(2-methylpropyl)triazole;1-(4-methylpentyl)-4-(2-methylpropyl)triazole;4-(4-methylpentyl)-1-(2-methylpropyl)triazole (PubChem CID 160666875) has the molecular formula C157H302N36 and a molecular weight of 2694.39 g/mol. Its IUPAC name is 1,4-bis(3-methylbutyl)triazole;1-(3-methylbutyl)-5-(5-methylhexyl)triazole;5-(3-methylbutyl)-1-(5-methylhexyl)triazole;4-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(3-methylbutyl)-1-(4-methylpentyl)triazole;1-(5-methylhexyl)-5-(4-methylpentyl)triazole;1-(5-methylhexyl)-4-(2-methylpropyl)triazole;1-(5-methylhexyl)-5-(2-methylpropyl)triazole;4-(5-methylhexyl)-1-(2-methylpropyl)triazole;5-(5-methylhexyl)-1-(2-methylpropyl)triazole;1-(4-methylpentyl)-4-(2-methylpropyl)triazole;4-(4-methylpentyl)-1-(2-methylpropyl)triazole.

Molecular Properties

Compound Name1,4-bis(3-methylbutyl)triazole;1-(3-methylbutyl)-5-(5-methylhexyl)triazole;5-(3-methylbutyl)-1-(5-methylhexyl)triazole;4-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(3-methylbutyl)-1-(4-methylpentyl)triazole;1-(5-methylhexyl)-5-(4-methylpentyl)triazole;1-(5-methylhexyl)-4-(2-methylpropyl)triazole;1-(5-methylhexyl)-5-(2-methylpropyl)triazole;4-(5-methylhexyl)-1-(2-methylpropyl)triazole;5-(5-methylhexyl)-1-(2-methylpropyl)triazole;1-(4-methylpentyl)-4-(2-methylpropyl)triazole;4-(4-methylpentyl)-1-(2-methylpropyl)triazole
PubChem CID160666875
Molecular FormulaC157H302N36
Molecular Weight2694.39 g/mol
Exact Mass2692.47
IUPAC Name1,4-bis(3-methylbutyl)triazole;1-(3-methylbutyl)-5-(5-methylhexyl)triazole;5-(3-methylbutyl)-1-(5-methylhexyl)triazole;4-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(3-methylbutyl)-1-(4-methylpentyl)triazole;1-(5-methylhexyl)-5-(4-methylpentyl)triazole;1-(5-methylhexyl)-4-(2-methylpropyl)triazole;1-(5-methylhexyl)-5-(2-methylpropyl)triazole;4-(5-methylhexyl)-1-(2-methylpropyl)triazole;5-(5-methylhexyl)-1-(2-methylpropyl)triazole;1-(4-methylpentyl)-4-(2-methylpropyl)triazole;4-(4-methylpentyl)-1-(2-methylpropyl)triazole
SMILESCC(C)CCCCc1cn(CC(C)C)nn1.CC(C)CCCCc1cnnn1CC(C)C.CC(C)CCCCc1cnnn1CCC(C)C.CC(C)CCCCn1cc(CC(C)C)nn1.CC(C)CCCCn1nncc1CC(C)C.CC(C)CCCCn1nncc1CCC(C)C.CC(C)CCCCn1nncc1CCCC(C)C.CC(C)CCCc1cn(CC(C)C)nn1.CC(C)CCCn1cc(CC(C)C)nn1.CC(C)CCCn1cc(CCC(C)C)nn1.CC(C)CCCn1nncc1CCC(C)C.CC(C)CCc1cn(CCC(C)C)nn1
InChIInChI=1S/C15H29N3.2C14H27N3.6C13H25N3.3C12H23N3/c1-13(2)8-5-6-11-18-15(12-16-17-18)10-7-9-14(3)4;1-12(2)7-5-6-10-17-14(11-15-16-17)9-8-13(3)4;1-12(2)7-5-6-8-14-11-15-16-17(14)10-9-13(3)4;1-11(2)6-5-9-16-10-13(14-15-16)8-7-12(3)4;1-11(2)6-5-9-16-13(10-14-15-16)8-7-12(3)4;1-11(2)7-5-6-8-13-9-14-15-16(13)10-12(3)4;1-11(2)7-5-6-8-16-10-13(14-15-16)9-12(3)4;1-11(2)7-5-6-8-16-13(9-12(3)4)10-14-15-16;1-11(2)7-5-6-8-13-10-16(15-14-13)9-12(3)4;1-10(2)5-6-12-9-15(14-13-12)8-7-11(3)4;1-10(2)6-5-7-15-9-12(13-14-15)8-11(3)4;1-10(2)6-5-7-12-9-15(14-13-12)8-11(3)4/h12-14H,5-11H2,1-4H3;2*11-13H,5-10H2,1-4H3;2*10-12H,5-9H2,1-4H3;9,11-12H,5-8,10H2,1-4H3;3*10-12H,5-9H2,1-4H3;3*9-11H,5-8H2,1-4H3
InChIKeyRMKNVQRCKPENLL-UHFFFAOYSA-N
XLogP40.02
TPSA368.52 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds85
Heavy Atoms193
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002694.39
LogP ≤ 540.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1,4-bis(3-methylbutyl)triazole;1-(3-methylbutyl)-5-(5-methylhexyl)triazole;5-(3-methylbutyl)-1-(5-methylhexyl)triazole;4-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(3-methylbutyl)-1-(4-methylpentyl)triazole;1-(5-methylhexyl)-5-(4-methylpentyl)triazole;1-(5-methylhexyl)-4-(2-methylpropyl)triazole;1-(5-methylhexyl)-5-(2-methylpropyl)triazole;4-(5-methylhexyl)-1-(2-methylpropyl)triazole;5-(5-methylhexyl)-1-(2-methylpropyl)triazole;1-(4-methylpentyl)-4-(2-methylpropyl)triazole;4-(4-methylpentyl)-1-(2-methylpropyl)triazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(3-methylbutyl)triazole;1-(3-methylbutyl)-5-(5-methylhexyl)triazole;5-(3-methylbutyl)-1-(5-methylhexyl)triazole;4-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(3-methylbutyl)-1-(4-methylpentyl)triazole;1-(5-methylhexyl)-5-(4-methylpentyl)triazole;1-(5-methylhexyl)-4-(2-methylpropyl)triazole;1-(5-methylhexyl)-5-(2-methylpropyl)triazole;4-(5-methylhexyl)-1-(2-methylpropyl)triazole;5-(5-methylhexyl)-1-(2-methylpropyl)triazole;1-(4-methylpentyl)-4-(2-methylpropyl)triazole;4-(4-methylpentyl)-1-(2-methylpropyl)triazole?
The IUPAC name of 1,4-bis(3-methylbutyl)triazole;1-(3-methylbutyl)-5-(5-methylhexyl)triazole;5-(3-methylbutyl)-1-(5-methylhexyl)triazole;4-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(3-methylbutyl)-1-(4-methylpentyl)triazole;1-(5-methylhexyl)-5-(4-methylpentyl)triazole;1-(5-methylhexyl)-4-(2-methylpropyl)triazole;1-(5-methylhexyl)-5-(2-methylpropyl)triazole;4-(5-methylhexyl)-1-(2-methylpropyl)triazole;5-(5-methylhexyl)-1-(2-methylpropyl)triazole;1-(4-methylpentyl)-4-(2-methylpropyl)triazole;4-(4-methylpentyl)-1-(2-methylpropyl)triazole (CID 160666875) is 1,4-bis(3-methylbutyl)triazole;1-(3-methylbutyl)-5-(5-methylhexyl)triazole;5-(3-methylbutyl)-1-(5-methylhexyl)triazole;4-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(3-methylbutyl)-1-(4-methylpentyl)triazole;1-(5-methylhexyl)-5-(4-methylpentyl)triazole;1-(5-methylhexyl)-4-(2-methylpropyl)triazole;1-(5-methylhexyl)-5-(2-methylpropyl)triazole;4-(5-methylhexyl)-1-(2-methylpropyl)triazole;5-(5-methylhexyl)-1-(2-methylpropyl)triazole;1-(4-methylpentyl)-4-(2-methylpropyl)triazole;4-(4-methylpentyl)-1-(2-methylpropyl)triazole.
What is the SMILES notation for 1,4-bis(3-methylbutyl)triazole;1-(3-methylbutyl)-5-(5-methylhexyl)triazole;5-(3-methylbutyl)-1-(5-methylhexyl)triazole;4-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(3-methylbutyl)-1-(4-methylpentyl)triazole;1-(5-methylhexyl)-5-(4-methylpentyl)triazole;1-(5-methylhexyl)-4-(2-methylpropyl)triazole;1-(5-methylhexyl)-5-(2-methylpropyl)triazole;4-(5-methylhexyl)-1-(2-methylpropyl)triazole;5-(5-methylhexyl)-1-(2-methylpropyl)triazole;1-(4-methylpentyl)-4-(2-methylpropyl)triazole;4-(4-methylpentyl)-1-(2-methylpropyl)triazole?
The canonical SMILES for 1,4-bis(3-methylbutyl)triazole;1-(3-methylbutyl)-5-(5-methylhexyl)triazole;5-(3-methylbutyl)-1-(5-methylhexyl)triazole;4-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(3-methylbutyl)-1-(4-methylpentyl)triazole;1-(5-methylhexyl)-5-(4-methylpentyl)triazole;1-(5-methylhexyl)-4-(2-methylpropyl)triazole;1-(5-methylhexyl)-5-(2-methylpropyl)triazole;4-(5-methylhexyl)-1-(2-methylpropyl)triazole;5-(5-methylhexyl)-1-(2-methylpropyl)triazole;1-(4-methylpentyl)-4-(2-methylpropyl)triazole;4-(4-methylpentyl)-1-(2-methylpropyl)triazole is CC(C)CCCCc1cn(CC(C)C)nn1.CC(C)CCCCc1cnnn1CC(C)C.CC(C)CCCCc1cnnn1CCC(C)C.CC(C)CCCCn1cc(CC(C)C)nn1.CC(C)CCCCn1nncc1CC(C)C.CC(C)CCCCn1nncc1CCC(C)C.CC(C)CCCCn1nncc1CCCC(C)C.CC(C)CCCc1cn(CC(C)C)nn1.CC(C)CCCn1cc(CC(C)C)nn1.CC(C)CCCn1cc(CCC(C)C)nn1.CC(C)CCCn1nncc1CCC(C)C.CC(C)CCc1cn(CCC(C)C)nn1.
What is the InChIKey of 1,4-bis(3-methylbutyl)triazole;1-(3-methylbutyl)-5-(5-methylhexyl)triazole;5-(3-methylbutyl)-1-(5-methylhexyl)triazole;4-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(3-methylbutyl)-1-(4-methylpentyl)triazole;1-(5-methylhexyl)-5-(4-methylpentyl)triazole;1-(5-methylhexyl)-4-(2-methylpropyl)triazole;1-(5-methylhexyl)-5-(2-methylpropyl)triazole;4-(5-methylhexyl)-1-(2-methylpropyl)triazole;5-(5-methylhexyl)-1-(2-methylpropyl)triazole;1-(4-methylpentyl)-4-(2-methylpropyl)triazole;4-(4-methylpentyl)-1-(2-methylpropyl)triazole?
The InChIKey is RMKNVQRCKPENLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3.2C14H27N3.6C13H25N3.3C12H23N3/c1-13(2)8-5-6-11-18-15(12-16-17-18)10-7-9-14(3)4;1-12(2)7-5-6-10-17-14(11-15-16-17)9-8-13(3)4;1-12(2)7-5-6-8-14-11-15-16-17(14)10-9-13(3)4;1-11(2)6-5-9-16-10-13(14-15-16)8-7-12(3)4;1-11(2)6-5-9-16-13(10-14-15-16)8-7-12(3)4;1-11(2)7-5-6-8-13-9-14-15-16(13)10-12(3)4;1-11(2)7-5-6-8-16-10-13(14-15-16)9-12(3)4;1-11(2)7-5-6-8-16-13(9-12(3)4)10-14-15-16;1-11(2)7-5-6-8-13-10-16(15-14-13)9-12(3)4;1-10(2)5-6-12-9-15(14-13-12)8-7-11(3)4;1-10(2)6-5-7-15-9-12(13-14-15)8-11(3)4;1-10(2)6-5-7-12-9-15(14-13-12)8-11(3)4/h12-14H,5-11H2,1-4H3;2*11-13H,5-10H2,1-4H3;2*10-12H,5-9H2,1-4H3;9,11-12H,5-8,10H2,1-4H3;3*10-12H,5-9H2,1-4H3;3*9-11H,5-8H2,1-4H3.
What are the key properties of 1,4-bis(3-methylbutyl)triazole;1-(3-methylbutyl)-5-(5-methylhexyl)triazole;5-(3-methylbutyl)-1-(5-methylhexyl)triazole;4-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(3-methylbutyl)-1-(4-methylpentyl)triazole;1-(5-methylhexyl)-5-(4-methylpentyl)triazole;1-(5-methylhexyl)-4-(2-methylpropyl)triazole;1-(5-methylhexyl)-5-(2-methylpropyl)triazole;4-(5-methylhexyl)-1-(2-methylpropyl)triazole;5-(5-methylhexyl)-1-(2-methylpropyl)triazole;1-(4-methylpentyl)-4-(2-methylpropyl)triazole;4-(4-methylpentyl)-1-(2-methylpropyl)triazole?
1,4-bis(3-methylbutyl)triazole;1-(3-methylbutyl)-5-(5-methylhexyl)triazole;5-(3-methylbutyl)-1-(5-methylhexyl)triazole;4-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(3-methylbutyl)-1-(4-methylpentyl)triazole;1-(5-methylhexyl)-5-(4-methylpentyl)triazole;1-(5-methylhexyl)-4-(2-methylpropyl)triazole;1-(5-methylhexyl)-5-(2-methylpropyl)triazole;4-(5-methylhexyl)-1-(2-methylpropyl)triazole;5-(5-methylhexyl)-1-(2-methylpropyl)triazole;1-(4-methylpentyl)-4-(2-methylpropyl)triazole;4-(4-methylpentyl)-1-(2-methylpropyl)triazole has a molecular weight of 2694.39 g/mol, XLogP of 40.02, 85 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(3-methylbutyl)triazole;1-(3-methylbutyl)-5-(5-methylhexyl)triazole;5-(3-methylbutyl)-1-(5-methylhexyl)triazole;4-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(3-methylbutyl)-1-(4-methylpentyl)triazole;1-(5-methylhexyl)-5-(4-methylpentyl)triazole;1-(5-methylhexyl)-4-(2-methylpropyl)triazole;1-(5-methylhexyl)-5-(2-methylpropyl)triazole;4-(5-methylhexyl)-1-(2-methylpropyl)triazole;5-(5-methylhexyl)-1-(2-methylpropyl)triazole;1-(4-methylpentyl)-4-(2-methylpropyl)triazole;4-(4-methylpentyl)-1-(2-methylpropyl)triazole is sourced from PubChem (CID 160666875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).