5-heptyl-1-(2-methylpropyl)triazole

C13H25N3 — CID 126571203

IUPAC5-heptyl-1-(2-methylpropyl)triazole
SMILESCCCCCCCc1cnnn1CC(C)C
InChIInChI=1S/C13H25N3/c1-4-5-6-7-8-9-13-10-14-15-16(13)11-12(2)3/h10,12H,4-9,11H2,1-3H3
InChIKeyIOCAAJWWTKJHDN-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.45
Rot. Bonds8

About 5-heptyl-1-(2-methylpropyl)triazole

5-heptyl-1-(2-methylpropyl)triazole (PubChem CID 126571203) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 5-heptyl-1-(2-methylpropyl)triazole.

Molecular Properties

Compound Name5-heptyl-1-(2-methylpropyl)triazole
PubChem CID126571203
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name5-heptyl-1-(2-methylpropyl)triazole
SMILESCCCCCCCc1cnnn1CC(C)C
InChIInChI=1S/C13H25N3/c1-4-5-6-7-8-9-13-10-14-15-16(13)11-12(2)3/h10,12H,4-9,11H2,1-3H3
InChIKeyIOCAAJWWTKJHDN-UHFFFAOYSA-N
XLogP3.45
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-hexyl-1-(6-methylheptyl)triazole
CID 126566666
1,5-bis(4-methylpentyl)triazole;bis(1-(3-methylbutyl)-5-(5-methylhexyl)triazole);1-(3-methylbutyl)-5-(8-methylnonyl)triazole;bis(5-(6-methylheptyl)-1-(2-methylpropyl)triazole)
CID 159157538
1,5-bis(4-methylpentyl)triazole;bis(1-(3-methylbutyl)-5-(5-methylhexyl)triazole);bis(1-(3-methylbutyl)-5-(8-methylnonyl)triazole);bis(5-(6-methylheptyl)-1-(2-methylpropyl)triazole)
CID 159044207
5-butyl-1-(7-methyloctyl)triazole
CID 69281455
bis(1,5-bis(4-methylpentyl)triazole);bis(1-(3-methylbutyl)-5-(5-methylhexyl)triazole);bis(5-(3-methylbutyl)-1-(5-methylhexyl)triazole);1-(3-methylbutyl)-5-(8-methylnonyl)triazole;bis(5-(6-methylheptyl)-1-(2-methylpropyl)triazole)
CID 158745845
1-heptyl-5-(3-methylsulfanylbutyl)triazole
CID 126566003
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-(3-methylbutyl)-1-(8-methylnonyl)triazole
CID 59827215
1-(9-methyldecyl)-5-(4-methylpentyl)triazole
CID 121260609
1-(7-methyloctyl)-5-(4-methylpentyl)triazole
CID 59827225
[2-(5-hexyltriazol-1-yl)-1-hydroxy-1-phosphonoethyl]phosphonic acid
CID 162652083
1-(3,4-dimethylpentyl)-5-(6-methylheptyl)triazole
CID 130380893

Frequently Asked Questions

What is the IUPAC name of 5-heptyl-1-(2-methylpropyl)triazole?
The IUPAC name of 5-heptyl-1-(2-methylpropyl)triazole (CID 126571203) is 5-heptyl-1-(2-methylpropyl)triazole.
What is the SMILES notation for 5-heptyl-1-(2-methylpropyl)triazole?
The canonical SMILES for 5-heptyl-1-(2-methylpropyl)triazole is CCCCCCCc1cnnn1CC(C)C.
What is the InChIKey of 5-heptyl-1-(2-methylpropyl)triazole?
The InChIKey is IOCAAJWWTKJHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-4-5-6-7-8-9-13-10-14-15-16(13)11-12(2)3/h10,12H,4-9,11H2,1-3H3.
What are the key properties of 5-heptyl-1-(2-methylpropyl)triazole?
5-heptyl-1-(2-methylpropyl)triazole has a molecular weight of 223.36 g/mol, XLogP of 3.45, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-heptyl-1-(2-methylpropyl)triazole is sourced from PubChem (CID 126571203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).