4-butyl-1,5-diethyltriazole

C10H19N3 — CID 69387762

IUPAC4-butyl-1,5-diethyltriazole
SMILESCCCCc1nnn(CC)c1CC
InChIInChI=1S/C10H19N3/c1-4-7-8-9-10(5-2)13(6-3)12-11-9/h4-8H2,1-3H3
InChIKeyOZVMJTHOTLWNIK-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.20
Rot. Bonds5

About 4-butyl-1,5-diethyltriazole

4-butyl-1,5-diethyltriazole (PubChem CID 69387762) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-butyl-1,5-diethyltriazole.

Molecular Properties

Compound Name4-butyl-1,5-diethyltriazole
PubChem CID69387762
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name4-butyl-1,5-diethyltriazole
SMILESCCCCc1nnn(CC)c1CC
InChIInChI=1S/C10H19N3/c1-4-7-8-9-10(5-2)13(6-3)12-11-9/h4-8H2,1-3H3
InChIKeyOZVMJTHOTLWNIK-UHFFFAOYSA-N
XLogP2.20
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-4,5-dipropyltriazole
CID 69383163
5-butyl-4-tert-butyl-1-ethyltriazole
CID 69386052
4-butyl-5-methyl-1-propyltriazole
CID 69381876
(5-butyl-1-pentyltriazol-4-yl)methanamine
CID 82205828
5-butyl-1-propan-2-yl-4-propyltriazole
CID 69388505
1-butyl-5-(2,2-dimethylpropyl)-4-propyltriazole
CID 69383979
1-butyl-5-(2-methylpropyl)-4-propyltriazole
CID 69382483
3-[5-butyl-4-(hydroxymethyl)triazol-1-yl]propan-1-ol
CID 82211464
1,5-dibutyl-4-(2,2-dimethylpropyl)triazole
CID 69384495
1-butyl-4-ethyl-5-methyltriazole
CID 69384801
1,4-dibutyl-5-(1,1,2,2,2-pentachloroethyl)triazole
CID 69385511
[5-ethyl-1-(3-phenylpropyl)triazol-4-yl]methanamine
CID 82208944

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1,5-diethyltriazole?
The IUPAC name of 4-butyl-1,5-diethyltriazole (CID 69387762) is 4-butyl-1,5-diethyltriazole.
What is the SMILES notation for 4-butyl-1,5-diethyltriazole?
The canonical SMILES for 4-butyl-1,5-diethyltriazole is CCCCc1nnn(CC)c1CC.
What is the InChIKey of 4-butyl-1,5-diethyltriazole?
The InChIKey is OZVMJTHOTLWNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-4-7-8-9-10(5-2)13(6-3)12-11-9/h4-8H2,1-3H3.
What are the key properties of 4-butyl-1,5-diethyltriazole?
4-butyl-1,5-diethyltriazole has a molecular weight of 181.28 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1,5-diethyltriazole is sourced from PubChem (CID 69387762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).