2-[1-(cyclopropylmethyl)triazol-4-yl]propan-2-amine

C9H16N4 — CID 63997132

IUPAC2-[1-(cyclopropylmethyl)triazol-4-yl]propan-2-amine
SMILESCC(C)(N)c1cn(CC2CC2)nn1
InChIInChI=1S/C9H16N4/c1-9(2,10)8-6-13(12-11-8)5-7-3-4-7/h6-7H,3-5,10H2,1-2H3
InChIKeyVGVOGNYRRJPDDQ-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.88
Rot. Bonds3

About 2-[1-(cyclopropylmethyl)triazol-4-yl]propan-2-amine

2-[1-(cyclopropylmethyl)triazol-4-yl]propan-2-amine (PubChem CID 63997132) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)triazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)triazol-4-yl]propan-2-amine
PubChem CID63997132
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name2-[1-(cyclopropylmethyl)triazol-4-yl]propan-2-amine
SMILESCC(C)(N)c1cn(CC2CC2)nn1
InChIInChI=1S/C9H16N4/c1-9(2,10)8-6-13(12-11-8)5-7-3-4-7/h6-7H,3-5,10H2,1-2H3
InChIKeyVGVOGNYRRJPDDQ-UHFFFAOYSA-N
XLogP0.88
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)triazol-4-yl]propan-2-amine?
The IUPAC name of 2-[1-(cyclopropylmethyl)triazol-4-yl]propan-2-amine (CID 63997132) is 2-[1-(cyclopropylmethyl)triazol-4-yl]propan-2-amine.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)triazol-4-yl]propan-2-amine?
The canonical SMILES for 2-[1-(cyclopropylmethyl)triazol-4-yl]propan-2-amine is CC(C)(N)c1cn(CC2CC2)nn1.
What is the InChIKey of 2-[1-(cyclopropylmethyl)triazol-4-yl]propan-2-amine?
The InChIKey is VGVOGNYRRJPDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-9(2,10)8-6-13(12-11-8)5-7-3-4-7/h6-7H,3-5,10H2,1-2H3.
What are the key properties of 2-[1-(cyclopropylmethyl)triazol-4-yl]propan-2-amine?
2-[1-(cyclopropylmethyl)triazol-4-yl]propan-2-amine has a molecular weight of 180.25 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)triazol-4-yl]propan-2-amine is sourced from PubChem (CID 63997132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).