[1-(cyclopropylmethyl)triazol-4-yl]methanamine

C7H12N4 — CID 62053951

IUPAC[1-(cyclopropylmethyl)triazol-4-yl]methanamine
SMILESNCc1cn(CC2CC2)nn1
InChIInChI=1S/C7H12N4/c8-3-7-5-11(10-9-7)4-6-1-2-6/h5-6H,1-4,8H2
InChIKeyKELKBKXPSNKQRJ-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.15
Rot. Bonds3

About [1-(cyclopropylmethyl)triazol-4-yl]methanamine

[1-(cyclopropylmethyl)triazol-4-yl]methanamine (PubChem CID 62053951) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)triazol-4-yl]methanamine
PubChem CID62053951
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name[1-(cyclopropylmethyl)triazol-4-yl]methanamine
SMILESNCc1cn(CC2CC2)nn1
InChIInChI=1S/C7H12N4/c8-3-7-5-11(10-9-7)4-6-1-2-6/h5-6H,1-4,8H2
InChIKeyKELKBKXPSNKQRJ-UHFFFAOYSA-N
XLogP0.15
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)triazol-4-yl]methanamine?
The IUPAC name of [1-(cyclopropylmethyl)triazol-4-yl]methanamine (CID 62053951) is [1-(cyclopropylmethyl)triazol-4-yl]methanamine.
What is the SMILES notation for [1-(cyclopropylmethyl)triazol-4-yl]methanamine?
The canonical SMILES for [1-(cyclopropylmethyl)triazol-4-yl]methanamine is NCc1cn(CC2CC2)nn1.
What is the InChIKey of [1-(cyclopropylmethyl)triazol-4-yl]methanamine?
The InChIKey is KELKBKXPSNKQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c8-3-7-5-11(10-9-7)4-6-1-2-6/h5-6H,1-4,8H2.
What are the key properties of [1-(cyclopropylmethyl)triazol-4-yl]methanamine?
[1-(cyclopropylmethyl)triazol-4-yl]methanamine has a molecular weight of 152.20 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethyl)triazol-4-yl]methanamine is sourced from PubChem (CID 62053951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).