N-(1-cyclopropylethyl)-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine

C₁₁H₁₄N₄O — CID 167785051

About N-(1-cyclopropylethyl)-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine

N-(1-cyclopropylethyl)-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine (PubChem CID 167785051) has the molecular formula C₁₁H₁₄N₄O and a molecular weight of 218.26 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

• Compound Name: N-(1-cyclopropylethyl)-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine
• PubChem CID: 167785051
• Molecular Formula: C₁₁H₁₄N₄O
• Molecular Weight: 218.26 g/mol
• Exact Mass: 218.12
• IUPAC Name: N-(1-cyclopropylethyl)-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine
• SMILES: CC(Nc1n[nH]c(-c2ccco2)n1)C1CC1
• InChI: InChI=1S/C11H14N4O/c1-7(8-4-5-8)12-11-13-10(14-15-11)9-3-2-6-16-9/h2-3,6-8H,4-5H2,1H3,(H2,12,13,14,15)
• InChIKey: FNAPDWKWOURILC-UHFFFAOYSA-N
• XLogP: 2.28
• TPSA: 66.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	218.26
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine?

The IUPAC name of N-(1-cyclopropylethyl)-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine (CID 167785051) is N-(1-cyclopropylethyl)-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine.

What is the SMILES notation for N-(1-cyclopropylethyl)-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine?

The canonical SMILES for N-(1-cyclopropylethyl)-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine is CC(Nc1n[nH]c(-c2ccco2)n1)C1CC1.

What is the InChIKey of N-(1-cyclopropylethyl)-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine?

The InChIKey is FNAPDWKWOURILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-7(8-4-5-8)12-11-13-10(14-15-11)9-3-2-6-16-9/h2-3,6-8H,4-5H2,1H3,(H2,12,13,14,15).

What are the key properties of N-(1-cyclopropylethyl)-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine?

N-(1-cyclopropylethyl)-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine has a molecular weight of 218.26 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-cyclopropylethyl)-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 167785051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 167785051 — identifiers, structure, computed properties (public domain)

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