1-(3-methylbutan-2-yl)-4-[4-methyl-5-[4-(2-methylpropyl)triazol-1-yl]pentyl]triazole

C19H34N6 — CID 166645101

IUPAC1-(3-methylbutan-2-yl)-4-[4-methyl-5-[4-(2-methylpropyl)triazol-1-yl]pentyl]triazole
SMILESCC(C)Cc1cn(CC(C)CCCc2cn(C(C)C(C)C)nn2)nn1
InChIInChI=1S/C19H34N6/c1-14(2)10-19-12-24(22-21-19)11-16(5)8-7-9-18-13-25(23-20-18)17(6)15(3)4/h12-17H,7-11H2,1-6H3
InChIKeyLRRGWZSVVPKSDW-UHFFFAOYSA-N
MW346.52 g/mol
LogP3.94
Rot. Bonds10

About 1-(3-methylbutan-2-yl)-4-[4-methyl-5-[4-(2-methylpropyl)triazol-1-yl]pentyl]triazole

1-(3-methylbutan-2-yl)-4-[4-methyl-5-[4-(2-methylpropyl)triazol-1-yl]pentyl]triazole (PubChem CID 166645101) has the molecular formula C19H34N6 and a molecular weight of 346.52 g/mol. Its IUPAC name is 1-(3-methylbutan-2-yl)-4-[4-methyl-5-[4-(2-methylpropyl)triazol-1-yl]pentyl]triazole.

Molecular Properties

Compound Name1-(3-methylbutan-2-yl)-4-[4-methyl-5-[4-(2-methylpropyl)triazol-1-yl]pentyl]triazole
PubChem CID166645101
Molecular FormulaC19H34N6
Molecular Weight346.52 g/mol
Exact Mass346.28
IUPAC Name1-(3-methylbutan-2-yl)-4-[4-methyl-5-[4-(2-methylpropyl)triazol-1-yl]pentyl]triazole
SMILESCC(C)Cc1cn(CC(C)CCCc2cn(C(C)C(C)C)nn2)nn1
InChIInChI=1S/C19H34N6/c1-14(2)10-19-12-24(22-21-19)11-16(5)8-7-9-18-13-25(23-20-18)17(6)15(3)4/h12-17H,7-11H2,1-6H3
InChIKeyLRRGWZSVVPKSDW-UHFFFAOYSA-N
XLogP3.94
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-iodobutyl)-1-(2-methylpropyl)triazole
CID 126677580
1-(2-methylpropyl)-4-octyltriazole
CID 163401173
4-(2-methylpropyl)-1-propyltriazole
CID 89029688
4-(2-bromoethyl)-1-(2-methylpropyl)triazole
CID 62395497
1-(3-methylbutyl)-5-(5-methylhexyl)triazole;4-(5-methylhexyl)-1-(2-methylpropyl)triazole;5-(5-methylhexyl)-1-(2-methylpropyl)triazole;1-(4-methylpentyl)-4-(2-methylpropyl)triazole
CID 157206080
5-(3-methylbutyl)-1-(5-methylhexyl)triazole;1-(3-methylbutyl)-4-(4-methylpentyl)triazole;4-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(3-methylbutyl)-1-(4-methylpentyl)triazole;1-(6-methylheptyl)-4-(2-methylpropyl)triazole;bis(1-(5-methylhexyl)-5-(4-methylpentyl)triazole);1-(5-methylhexyl)-5-(2-methylpropyl)triazole;4-(4-methylpentyl)-1-(2-methylpropyl)triazole
CID 158549335
bis(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)-4-(2-methylpropyl)triazole;5-(5-methylhexyl)-1-(2-methylpropyl)triazole;4-(4-methylpentyl)-1-(2-methylpropyl)triazole
CID 161153415
1-(4-azidobutyl)-4-(2-methylpropyl)triazole
CID 174868893
N-ethyl-6-[1-(2-methylpropyl)triazol-4-yl]hexan-1-amine
CID 155740464
4-(4-methylpentyl)-1-[(E)-pent-3-enyl]triazole
CID 130446232
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
4-ethyl-1-(2-methylpropyl)triazole
CID 89281755

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutan-2-yl)-4-[4-methyl-5-[4-(2-methylpropyl)triazol-1-yl]pentyl]triazole?
The IUPAC name of 1-(3-methylbutan-2-yl)-4-[4-methyl-5-[4-(2-methylpropyl)triazol-1-yl]pentyl]triazole (CID 166645101) is 1-(3-methylbutan-2-yl)-4-[4-methyl-5-[4-(2-methylpropyl)triazol-1-yl]pentyl]triazole.
What is the SMILES notation for 1-(3-methylbutan-2-yl)-4-[4-methyl-5-[4-(2-methylpropyl)triazol-1-yl]pentyl]triazole?
The canonical SMILES for 1-(3-methylbutan-2-yl)-4-[4-methyl-5-[4-(2-methylpropyl)triazol-1-yl]pentyl]triazole is CC(C)Cc1cn(CC(C)CCCc2cn(C(C)C(C)C)nn2)nn1.
What is the InChIKey of 1-(3-methylbutan-2-yl)-4-[4-methyl-5-[4-(2-methylpropyl)triazol-1-yl]pentyl]triazole?
The InChIKey is LRRGWZSVVPKSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N6/c1-14(2)10-19-12-24(22-21-19)11-16(5)8-7-9-18-13-25(23-20-18)17(6)15(3)4/h12-17H,7-11H2,1-6H3.
What are the key properties of 1-(3-methylbutan-2-yl)-4-[4-methyl-5-[4-(2-methylpropyl)triazol-1-yl]pentyl]triazole?
1-(3-methylbutan-2-yl)-4-[4-methyl-5-[4-(2-methylpropyl)triazol-1-yl]pentyl]triazole has a molecular weight of 346.52 g/mol, XLogP of 3.94, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutan-2-yl)-4-[4-methyl-5-[4-(2-methylpropyl)triazol-1-yl]pentyl]triazole is sourced from PubChem (CID 166645101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).