(1-propan-2-yltriazol-4-yl)methanamine

C6H12N4 — CID 62055376

IUPAC(1-propan-2-yltriazol-4-yl)methanamine
SMILESCC(C)n1cc(CN)nn1
InChIInChI=1S/C6H12N4/c1-5(2)10-4-6(3-7)8-9-10/h4-5H,3,7H2,1-2H3
InChIKeyMLGQMJALMNGPSR-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.32
Rot. Bonds2

About (1-propan-2-yltriazol-4-yl)methanamine

(1-propan-2-yltriazol-4-yl)methanamine (PubChem CID 62055376) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is (1-propan-2-yltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(1-propan-2-yltriazol-4-yl)methanamine
PubChem CID62055376
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name(1-propan-2-yltriazol-4-yl)methanamine
SMILESCC(C)n1cc(CN)nn1
InChIInChI=1S/C6H12N4/c1-5(2)10-4-6(3-7)8-9-10/h4-5H,3,7H2,1-2H3
InChIKeyMLGQMJALMNGPSR-UHFFFAOYSA-N
XLogP0.32
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 ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-propan-2-yltriazol-4-yl)methanamine?
The IUPAC name of (1-propan-2-yltriazol-4-yl)methanamine (CID 62055376) is (1-propan-2-yltriazol-4-yl)methanamine.
What is the SMILES notation for (1-propan-2-yltriazol-4-yl)methanamine?
The canonical SMILES for (1-propan-2-yltriazol-4-yl)methanamine is CC(C)n1cc(CN)nn1.
What is the InChIKey of (1-propan-2-yltriazol-4-yl)methanamine?
The InChIKey is MLGQMJALMNGPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-5(2)10-4-6(3-7)8-9-10/h4-5H,3,7H2,1-2H3.
What are the key properties of (1-propan-2-yltriazol-4-yl)methanamine?
(1-propan-2-yltriazol-4-yl)methanamine has a molecular weight of 140.19 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-yltriazol-4-yl)methanamine is sourced from PubChem (CID 62055376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).