1-butyl-5-(2,2-dimethylpropyl)-4-propyltriazole

C14H27N3 — CID 69383979

IUPAC1-butyl-5-(2,2-dimethylpropyl)-4-propyltriazole
SMILESCCCCn1nnc(CCC)c1CC(C)(C)C
InChIInChI=1S/C14H27N3/c1-6-8-10-17-13(11-14(3,4)5)12(9-7-2)15-16-17/h6-11H2,1-5H3
InChIKeyHOPCVKXHJOSMDS-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.62
Rot. Bonds6

About 1-butyl-5-(2,2-dimethylpropyl)-4-propyltriazole

1-butyl-5-(2,2-dimethylpropyl)-4-propyltriazole (PubChem CID 69383979) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-butyl-5-(2,2-dimethylpropyl)-4-propyltriazole.

Molecular Properties

Compound Name1-butyl-5-(2,2-dimethylpropyl)-4-propyltriazole
PubChem CID69383979
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-butyl-5-(2,2-dimethylpropyl)-4-propyltriazole
SMILESCCCCn1nnc(CCC)c1CC(C)(C)C
InChIInChI=1S/C14H27N3/c1-6-8-10-17-13(11-14(3,4)5)12(9-7-2)15-16-17/h6-11H2,1-5H3
InChIKeyHOPCVKXHJOSMDS-UHFFFAOYSA-N
XLogP3.62
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-dibutyl-4-(2,2-dimethylpropyl)triazole
CID 69384495
5-butyl-4-(2,2-dimethylpropyl)-1-hexyltriazole
CID 69383681
1-butyl-5-(2-methylpropyl)-4-propyltriazole
CID 69382483
1-butyl-5-(2,2-dimethylpropyl)triazole-4-carbonitrile
CID 69385879
5-bromo-1-butyl-4-(2,2-dimethylpropyl)triazole
CID 69382583
(1-butyl-5-propyltriazol-4-yl)methanamine
CID 82205490
5-(2,2-dimethylpropyl)-4-methyl-1-propyltriazole
CID 69384669
1-ethyl-4,5-dipropyltriazole
CID 69383163
1-butyl-4-propan-2-yl-5-propyltriazole
CID 69385473
(5-butyl-1-pentyltriazol-4-yl)methanamine
CID 82205828
1-butyl-4-ethyl-5-methyltriazole
CID 69384801
3-[5-butyl-4-(hydroxymethyl)triazol-1-yl]propan-1-ol
CID 82211464

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-(2,2-dimethylpropyl)-4-propyltriazole?
The IUPAC name of 1-butyl-5-(2,2-dimethylpropyl)-4-propyltriazole (CID 69383979) is 1-butyl-5-(2,2-dimethylpropyl)-4-propyltriazole.
What is the SMILES notation for 1-butyl-5-(2,2-dimethylpropyl)-4-propyltriazole?
The canonical SMILES for 1-butyl-5-(2,2-dimethylpropyl)-4-propyltriazole is CCCCn1nnc(CCC)c1CC(C)(C)C.
What is the InChIKey of 1-butyl-5-(2,2-dimethylpropyl)-4-propyltriazole?
The InChIKey is HOPCVKXHJOSMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-6-8-10-17-13(11-14(3,4)5)12(9-7-2)15-16-17/h6-11H2,1-5H3.
What are the key properties of 1-butyl-5-(2,2-dimethylpropyl)-4-propyltriazole?
1-butyl-5-(2,2-dimethylpropyl)-4-propyltriazole has a molecular weight of 237.39 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-(2,2-dimethylpropyl)-4-propyltriazole is sourced from PubChem (CID 69383979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).