1-butan-2-yltriazol-4-amine

C6H12N4 — CID 79530660

IUPAC1-butan-2-yltriazol-4-amine
SMILESCCC(C)n1cc(N)nn1
InChIInChI=1S/C6H12N4/c1-3-5(2)10-4-6(7)8-9-10/h4-5H,3,7H2,1-2H3
InChIKeyQKMZYDHHNRTFGI-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.83
Rot. Bonds2

About 1-butan-2-yltriazol-4-amine

1-butan-2-yltriazol-4-amine (PubChem CID 79530660) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-butan-2-yltriazol-4-amine.

Molecular Properties

Compound Name1-butan-2-yltriazol-4-amine
PubChem CID79530660
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name1-butan-2-yltriazol-4-amine
SMILESCCC(C)n1cc(N)nn1
InChIInChI=1S/C6H12N4/c1-3-5(2)10-4-6(7)8-9-10/h4-5H,3,7H2,1-2H3
InChIKeyQKMZYDHHNRTFGI-UHFFFAOYSA-N
XLogP0.83
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yltriazol-4-amine?
The IUPAC name of 1-butan-2-yltriazol-4-amine (CID 79530660) is 1-butan-2-yltriazol-4-amine.
What is the SMILES notation for 1-butan-2-yltriazol-4-amine?
The canonical SMILES for 1-butan-2-yltriazol-4-amine is CCC(C)n1cc(N)nn1.
What is the InChIKey of 1-butan-2-yltriazol-4-amine?
The InChIKey is QKMZYDHHNRTFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-3-5(2)10-4-6(7)8-9-10/h4-5H,3,7H2,1-2H3.
What are the key properties of 1-butan-2-yltriazol-4-amine?
1-butan-2-yltriazol-4-amine has a molecular weight of 140.19 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yltriazol-4-amine is sourced from PubChem (CID 79530660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).