1-butyl-4-propan-2-yl-5-propyltriazole

C12H23N3 — CID 69385473

IUPAC1-butyl-4-propan-2-yl-5-propyltriazole
SMILESCCCCn1nnc(C(C)C)c1CCC
InChIInChI=1S/C12H23N3/c1-5-7-9-15-11(8-6-2)12(10(3)4)13-14-15/h10H,5-9H2,1-4H3
InChIKeyNDHIBSYIUFMVGL-UHFFFAOYSA-N
MW209.34 g/mol
LogP3.15
Rot. Bonds6

About 1-butyl-4-propan-2-yl-5-propyltriazole

1-butyl-4-propan-2-yl-5-propyltriazole (PubChem CID 69385473) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1-butyl-4-propan-2-yl-5-propyltriazole.

Molecular Properties

Compound Name1-butyl-4-propan-2-yl-5-propyltriazole
PubChem CID69385473
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1-butyl-4-propan-2-yl-5-propyltriazole
SMILESCCCCn1nnc(C(C)C)c1CCC
InChIInChI=1S/C12H23N3/c1-5-7-9-15-11(8-6-2)12(10(3)4)13-14-15/h10H,5-9H2,1-4H3
InChIKeyNDHIBSYIUFMVGL-UHFFFAOYSA-N
XLogP3.15
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-4-propan-2-yl-5-(trifluoromethyl)triazole
CID 69382054
1-butyl-5-(2-methylpropyl)-4-propyltriazole
CID 69382483
3-butyl-5-propan-2-yltriazole-4-carbonitrile
CID 69384076
(1-butyl-5-propyltriazol-4-yl)methanamine
CID 82205490
5-chloro-1-hexyl-4-propan-2-yltriazole
CID 69382422
5-bromo-1-hexyl-4-propan-2-yltriazole
CID 69387210
4-bromo-1-hexyl-5-propyltriazole
CID 69388967
1-butyl-5-(2,2-dimethylpropyl)-4-propyltriazole
CID 69383979
1-heptyl-5-propyltriazole-4-carboxylic acid
CID 62055253
1-(3-methylbutyl)-5-propyltriazole-4-carbaldehyde
CID 82208213
1-butyl-5-(2-methylpropyl)-4-(trichloromethyl)triazole
CID 69384490
1-hexyl-4-(1,1,2,2,2-pentafluoroethyl)-5-propyltriazole
CID 87804159

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-propan-2-yl-5-propyltriazole?
The IUPAC name of 1-butyl-4-propan-2-yl-5-propyltriazole (CID 69385473) is 1-butyl-4-propan-2-yl-5-propyltriazole.
What is the SMILES notation for 1-butyl-4-propan-2-yl-5-propyltriazole?
The canonical SMILES for 1-butyl-4-propan-2-yl-5-propyltriazole is CCCCn1nnc(C(C)C)c1CCC.
What is the InChIKey of 1-butyl-4-propan-2-yl-5-propyltriazole?
The InChIKey is NDHIBSYIUFMVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-5-7-9-15-11(8-6-2)12(10(3)4)13-14-15/h10H,5-9H2,1-4H3.
What are the key properties of 1-butyl-4-propan-2-yl-5-propyltriazole?
1-butyl-4-propan-2-yl-5-propyltriazole has a molecular weight of 209.34 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-propan-2-yl-5-propyltriazole is sourced from PubChem (CID 69385473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).