bis(5-(3-methylbutyl)-1-(8-methylnonyl)triazole);bis(1-(3-methylbutyl)-4-(7-methyloctyl)triazole);bis(5-(3-methylbutyl)-1-(7-methyloctyl)triazole);1-(6-methylheptyl)-5-(4-methylpentyl)triazole;4-(7-methyloctyl)-1-(4-methylpentyl)triazole

C131H254N24 — CID 160877801

IUPACbis(5-(3-methylbutyl)-1-(8-methylnonyl)triazole);bis(1-(3-methylbutyl)-4-(7-methyloctyl)triazole);bis(5-(3-methylbutyl)-1-(7-methyloctyl)triazole);1-(6-methylheptyl)-5-(4-methylpentyl)triazole;4-(7-methyloctyl)-1-(4-methylpentyl)triazole
SMILESCC(C)CCCCCCCn1nncc1CCC(C)C.CC(C)CCCCCCCn1nncc1CCC(C)C.CC(C)CCCCCCc1cn(CCC(C)C)nn1.CC(C)CCCCCCc1cn(CCC(C)C)nn1.CC(C)CCCCCCc1cn(CCCC(C)C)nn1.CC(C)CCCCCCn1nncc1CCC(C)C.CC(C)CCCCCCn1nncc1CCC(C)C.CC(C)CCCCCn1nncc1CCCC(C)C
InChIInChI=1S/3C17H33N3.5C16H31N3/c1-15(2)10-7-5-6-8-12-17-14-20(19-18-17)13-9-11-16(3)4;2*1-15(2)10-8-6-5-7-9-13-20-17(14-18-19-20)12-11-16(3)4;1-14(2)9-6-5-7-12-19-16(13-17-18-19)11-8-10-15(3)4;2*1-14(2)9-7-5-6-8-12-19-16(13-17-18-19)11-10-15(3)4;2*1-14(2)9-7-5-6-8-10-16-13-19(18-17-16)12-11-15(3)4/h3*14-16H,5-13H2,1-4H3;5*13-15H,5-12H2,1-4H3
InChIKeySMPZCEDZSRCYOY-UHFFFAOYSA-N
MW2165.64 g/mol
LogP36.96
Rot. Bonds83

About bis(5-(3-methylbutyl)-1-(8-methylnonyl)triazole);bis(1-(3-methylbutyl)-4-(7-methyloctyl)triazole);bis(5-(3-methylbutyl)-1-(7-methyloctyl)triazole);1-(6-methylheptyl)-5-(4-methylpentyl)triazole;4-(7-methyloctyl)-1-(4-methylpentyl)triazole

bis(5-(3-methylbutyl)-1-(8-methylnonyl)triazole);bis(1-(3-methylbutyl)-4-(7-methyloctyl)triazole);bis(5-(3-methylbutyl)-1-(7-methyloctyl)triazole);1-(6-methylheptyl)-5-(4-methylpentyl)triazole;4-(7-methyloctyl)-1-(4-methylpentyl)triazole (PubChem CID 160877801) has the molecular formula C131H254N24 and a molecular weight of 2165.64 g/mol. Its IUPAC name is bis(5-(3-methylbutyl)-1-(8-methylnonyl)triazole);bis(1-(3-methylbutyl)-4-(7-methyloctyl)triazole);bis(5-(3-methylbutyl)-1-(7-methyloctyl)triazole);1-(6-methylheptyl)-5-(4-methylpentyl)triazole;4-(7-methyloctyl)-1-(4-methylpentyl)triazole.

Molecular Properties

Compound Namebis(5-(3-methylbutyl)-1-(8-methylnonyl)triazole);bis(1-(3-methylbutyl)-4-(7-methyloctyl)triazole);bis(5-(3-methylbutyl)-1-(7-methyloctyl)triazole);1-(6-methylheptyl)-5-(4-methylpentyl)triazole;4-(7-methyloctyl)-1-(4-methylpentyl)triazole
PubChem CID160877801
Molecular FormulaC131H254N24
Molecular Weight2165.64 g/mol
Exact Mass2164.06
IUPAC Namebis(5-(3-methylbutyl)-1-(8-methylnonyl)triazole);bis(1-(3-methylbutyl)-4-(7-methyloctyl)triazole);bis(5-(3-methylbutyl)-1-(7-methyloctyl)triazole);1-(6-methylheptyl)-5-(4-methylpentyl)triazole;4-(7-methyloctyl)-1-(4-methylpentyl)triazole
SMILESCC(C)CCCCCCCn1nncc1CCC(C)C.CC(C)CCCCCCCn1nncc1CCC(C)C.CC(C)CCCCCCc1cn(CCC(C)C)nn1.CC(C)CCCCCCc1cn(CCC(C)C)nn1.CC(C)CCCCCCc1cn(CCCC(C)C)nn1.CC(C)CCCCCCn1nncc1CCC(C)C.CC(C)CCCCCCn1nncc1CCC(C)C.CC(C)CCCCCn1nncc1CCCC(C)C
InChIInChI=1S/3C17H33N3.5C16H31N3/c1-15(2)10-7-5-6-8-12-17-14-20(19-18-17)13-9-11-16(3)4;2*1-15(2)10-8-6-5-7-9-13-20-17(14-18-19-20)12-11-16(3)4;1-14(2)9-6-5-7-12-19-16(13-17-18-19)11-8-10-15(3)4;2*1-14(2)9-7-5-6-8-12-19-16(13-17-18-19)11-10-15(3)4;2*1-14(2)9-7-5-6-8-10-16-13-19(18-17-16)12-11-15(3)4/h3*14-16H,5-13H2,1-4H3;5*13-15H,5-12H2,1-4H3
InChIKeySMPZCEDZSRCYOY-UHFFFAOYSA-N
XLogP36.96
TPSA245.68 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds83
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002165.64
LogP ≤ 536.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze bis(5-(3-methylbutyl)-1-(8-methylnonyl)triazole);bis(1-(3-methylbutyl)-4-(7-methyloctyl)triazole);bis(5-(3-methylbutyl)-1-(7-methyloctyl)triazole);1-(6-methylheptyl)-5-(4-methylpentyl)triazole;4-(7-methyloctyl)-1-(4-methylpentyl)triazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(5-(3-methylbutyl)-1-(8-methylnonyl)triazole);bis(1-(3-methylbutyl)-4-(7-methyloctyl)triazole);bis(5-(3-methylbutyl)-1-(7-methyloctyl)triazole);1-(6-methylheptyl)-5-(4-methylpentyl)triazole;4-(7-methyloctyl)-1-(4-methylpentyl)triazole?
The IUPAC name of bis(5-(3-methylbutyl)-1-(8-methylnonyl)triazole);bis(1-(3-methylbutyl)-4-(7-methyloctyl)triazole);bis(5-(3-methylbutyl)-1-(7-methyloctyl)triazole);1-(6-methylheptyl)-5-(4-methylpentyl)triazole;4-(7-methyloctyl)-1-(4-methylpentyl)triazole (CID 160877801) is bis(5-(3-methylbutyl)-1-(8-methylnonyl)triazole);bis(1-(3-methylbutyl)-4-(7-methyloctyl)triazole);bis(5-(3-methylbutyl)-1-(7-methyloctyl)triazole);1-(6-methylheptyl)-5-(4-methylpentyl)triazole;4-(7-methyloctyl)-1-(4-methylpentyl)triazole.
What is the SMILES notation for bis(5-(3-methylbutyl)-1-(8-methylnonyl)triazole);bis(1-(3-methylbutyl)-4-(7-methyloctyl)triazole);bis(5-(3-methylbutyl)-1-(7-methyloctyl)triazole);1-(6-methylheptyl)-5-(4-methylpentyl)triazole;4-(7-methyloctyl)-1-(4-methylpentyl)triazole?
The canonical SMILES for bis(5-(3-methylbutyl)-1-(8-methylnonyl)triazole);bis(1-(3-methylbutyl)-4-(7-methyloctyl)triazole);bis(5-(3-methylbutyl)-1-(7-methyloctyl)triazole);1-(6-methylheptyl)-5-(4-methylpentyl)triazole;4-(7-methyloctyl)-1-(4-methylpentyl)triazole is CC(C)CCCCCCCn1nncc1CCC(C)C.CC(C)CCCCCCCn1nncc1CCC(C)C.CC(C)CCCCCCc1cn(CCC(C)C)nn1.CC(C)CCCCCCc1cn(CCC(C)C)nn1.CC(C)CCCCCCc1cn(CCCC(C)C)nn1.CC(C)CCCCCCn1nncc1CCC(C)C.CC(C)CCCCCCn1nncc1CCC(C)C.CC(C)CCCCCn1nncc1CCCC(C)C.
What is the InChIKey of bis(5-(3-methylbutyl)-1-(8-methylnonyl)triazole);bis(1-(3-methylbutyl)-4-(7-methyloctyl)triazole);bis(5-(3-methylbutyl)-1-(7-methyloctyl)triazole);1-(6-methylheptyl)-5-(4-methylpentyl)triazole;4-(7-methyloctyl)-1-(4-methylpentyl)triazole?
The InChIKey is SMPZCEDZSRCYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C17H33N3.5C16H31N3/c1-15(2)10-7-5-6-8-12-17-14-20(19-18-17)13-9-11-16(3)4;2*1-15(2)10-8-6-5-7-9-13-20-17(14-18-19-20)12-11-16(3)4;1-14(2)9-6-5-7-12-19-16(13-17-18-19)11-8-10-15(3)4;2*1-14(2)9-7-5-6-8-12-19-16(13-17-18-19)11-10-15(3)4;2*1-14(2)9-7-5-6-8-10-16-13-19(18-17-16)12-11-15(3)4/h3*14-16H,5-13H2,1-4H3;5*13-15H,5-12H2,1-4H3.
What are the key properties of bis(5-(3-methylbutyl)-1-(8-methylnonyl)triazole);bis(1-(3-methylbutyl)-4-(7-methyloctyl)triazole);bis(5-(3-methylbutyl)-1-(7-methyloctyl)triazole);1-(6-methylheptyl)-5-(4-methylpentyl)triazole;4-(7-methyloctyl)-1-(4-methylpentyl)triazole?
bis(5-(3-methylbutyl)-1-(8-methylnonyl)triazole);bis(1-(3-methylbutyl)-4-(7-methyloctyl)triazole);bis(5-(3-methylbutyl)-1-(7-methyloctyl)triazole);1-(6-methylheptyl)-5-(4-methylpentyl)triazole;4-(7-methyloctyl)-1-(4-methylpentyl)triazole has a molecular weight of 2165.64 g/mol, XLogP of 36.96, 83 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-(3-methylbutyl)-1-(8-methylnonyl)triazole);bis(1-(3-methylbutyl)-4-(7-methyloctyl)triazole);bis(5-(3-methylbutyl)-1-(7-methyloctyl)triazole);1-(6-methylheptyl)-5-(4-methylpentyl)triazole;4-(7-methyloctyl)-1-(4-methylpentyl)triazole is sourced from PubChem (CID 160877801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).