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

C8H14N4 — CID 61336979

IUPAC2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)propan-2-amine
SMILESCC(C)(N)c1n[nH]c(C2CC2)n1
InChIInChI=1S/C8H14N4/c1-8(2,9)7-10-6(11-12-7)5-3-4-5/h5H,3-4,9H2,1-2H3,(H,10,11,12)
InChIKeyOHCSLEHHSPIUND-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.88
Rot. Bonds2

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

2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)propan-2-amine (PubChem CID 61336979) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)propan-2-amine
PubChem CID61336979
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)propan-2-amine
SMILESCC(C)(N)c1n[nH]c(C2CC2)n1
InChIInChI=1S/C8H14N4/c1-8(2,9)7-10-6(11-12-7)5-3-4-5/h5H,3-4,9H2,1-2H3,(H,10,11,12)
InChIKeyOHCSLEHHSPIUND-UHFFFAOYSA-N
XLogP0.88
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)propan-2-amine?
The IUPAC name of 2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)propan-2-amine (CID 61336979) is 2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)propan-2-amine.
What is the SMILES notation for 2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)propan-2-amine?
The canonical SMILES for 2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)propan-2-amine is CC(C)(N)c1n[nH]c(C2CC2)n1.
What is the InChIKey of 2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)propan-2-amine?
The InChIKey is OHCSLEHHSPIUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-8(2,9)7-10-6(11-12-7)5-3-4-5/h5H,3-4,9H2,1-2H3,(H,10,11,12).
What are the key properties of 2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)propan-2-amine?
2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)propan-2-amine has a molecular weight of 166.23 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)propan-2-amine is sourced from PubChem (CID 61336979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).