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

C20H38N6 — CID 159095521

IUPAC1,5-bis(2-methylpropyl)triazole;3,4-bis(2-methylpropyl)-1,2,4-triazole
SMILESCC(C)Cc1cnnn1CC(C)C.CC(C)Cc1nncn1CC(C)C
InChIInChI=1S/2C10H19N3/c1-8(2)5-10-6-11-12-13(10)7-9(3)4;1-8(2)5-10-12-11-7-13(10)6-9(3)4/h6,8-9H,5,7H2,1-4H3;7-9H,5-6H2,1-4H3
InChIKeyKCPRHRSVGIWVQD-UHFFFAOYSA-N
MW362.57 g/mol
LogP4.27
Rot. Bonds8

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

1,5-bis(2-methylpropyl)triazole;3,4-bis(2-methylpropyl)-1,2,4-triazole (PubChem CID 159095521) has the molecular formula C20H38N6 and a molecular weight of 362.57 g/mol. Its IUPAC name is 1,5-bis(2-methylpropyl)triazole;3,4-bis(2-methylpropyl)-1,2,4-triazole.

Molecular Properties

Compound Name1,5-bis(2-methylpropyl)triazole;3,4-bis(2-methylpropyl)-1,2,4-triazole
PubChem CID159095521
Molecular FormulaC20H38N6
Molecular Weight362.57 g/mol
Exact Mass362.32
IUPAC Name1,5-bis(2-methylpropyl)triazole;3,4-bis(2-methylpropyl)-1,2,4-triazole
SMILESCC(C)Cc1cnnn1CC(C)C.CC(C)Cc1nncn1CC(C)C
InChIInChI=1S/2C10H19N3/c1-8(2)5-10-6-11-12-13(10)7-9(3)4;1-8(2)5-10-12-11-7-13(10)6-9(3)4/h6,8-9H,5,7H2,1-4H3;7-9H,5-6H2,1-4H3
InChIKeyKCPRHRSVGIWVQD-UHFFFAOYSA-N
XLogP4.27
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.57
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(chloromethyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 22938731
2-[[4-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]ethanamine
CID 79463763
5-heptyl-1-(2-methylpropyl)triazole
CID 126571203
1,5-bis(5-methylhexyl)triazole;1-(3-methylbutyl)-5-(7-methyloctyl)triazole;bis(1-(3-methylbutyl)-5-(4-methylpentyl)triazole);5-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(6-methylheptyl)-1-(4-methylpentyl)triazole;1-(5-methylhexyl)-5-(2-methylpropyl)triazole;bis(5-(5-methylhexyl)-1-(2-methylpropyl)triazole)
CID 158830017
5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine
CID 62711428
2-methyl-4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-amine
CID 62709369
methane;bis(1-(6-methylheptyl)-5-(2-methylpropyl)triazole)
CID 160506972
5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine
CID 82849099
3-(azetidin-3-ylmethyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 64610440
3-[(2,6-difluorophenyl)methyl]-4-(2-methylpropyl)-1,2,4-triazole
CID 113301450
3-(1-methylimidazol-4-yl)-4-(2-methylpropyl)-1,2,4-triazole
CID 107976153
3-[2-(4-methoxyphenyl)ethyl]-4-(2-methylpropyl)-1,2,4-triazole
CID 115395643

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(2-methylpropyl)triazole;3,4-bis(2-methylpropyl)-1,2,4-triazole?
The IUPAC name of 1,5-bis(2-methylpropyl)triazole;3,4-bis(2-methylpropyl)-1,2,4-triazole (CID 159095521) is 1,5-bis(2-methylpropyl)triazole;3,4-bis(2-methylpropyl)-1,2,4-triazole.
What is the SMILES notation for 1,5-bis(2-methylpropyl)triazole;3,4-bis(2-methylpropyl)-1,2,4-triazole?
The canonical SMILES for 1,5-bis(2-methylpropyl)triazole;3,4-bis(2-methylpropyl)-1,2,4-triazole is CC(C)Cc1cnnn1CC(C)C.CC(C)Cc1nncn1CC(C)C.
What is the InChIKey of 1,5-bis(2-methylpropyl)triazole;3,4-bis(2-methylpropyl)-1,2,4-triazole?
The InChIKey is KCPRHRSVGIWVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H19N3/c1-8(2)5-10-6-11-12-13(10)7-9(3)4;1-8(2)5-10-12-11-7-13(10)6-9(3)4/h6,8-9H,5,7H2,1-4H3;7-9H,5-6H2,1-4H3.
What are the key properties of 1,5-bis(2-methylpropyl)triazole;3,4-bis(2-methylpropyl)-1,2,4-triazole?
1,5-bis(2-methylpropyl)triazole;3,4-bis(2-methylpropyl)-1,2,4-triazole has a molecular weight of 362.57 g/mol, XLogP of 4.27, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(2-methylpropyl)triazole;3,4-bis(2-methylpropyl)-1,2,4-triazole is sourced from PubChem (CID 159095521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).