2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)propan-1-amine

C9H16N4 — CID 62720886

IUPAC2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCC(CN)c1nc(C2CC2)nn1C
InChIInChI=1S/C9H16N4/c1-6(5-10)9-11-8(7-3-4-7)12-13(9)2/h6-7H,3-5,10H2,1-2H3
InChIKeyDUXXTJBDKMYDNS-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.75
Rot. Bonds3

About 2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)propan-1-amine

2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)propan-1-amine (PubChem CID 62720886) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)propan-1-amine
PubChem CID62720886
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCC(CN)c1nc(C2CC2)nn1C
InChIInChI=1S/C9H16N4/c1-6(5-10)9-11-8(7-3-4-7)12-13(9)2/h6-7H,3-5,10H2,1-2H3
InChIKeyDUXXTJBDKMYDNS-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)propan-1-amine?
The IUPAC name of 2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)propan-1-amine (CID 62720886) is 2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)propan-1-amine.
What is the SMILES notation for 2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)propan-1-amine?
The canonical SMILES for 2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)propan-1-amine is CC(CN)c1nc(C2CC2)nn1C.
What is the InChIKey of 2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)propan-1-amine?
The InChIKey is DUXXTJBDKMYDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-6(5-10)9-11-8(7-3-4-7)12-13(9)2/h6-7H,3-5,10H2,1-2H3.
What are the key properties of 2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)propan-1-amine?
2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)propan-1-amine has a molecular weight of 180.25 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)propan-1-amine is sourced from PubChem (CID 62720886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).