3-amino-N-[1-(furan-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide

C9H11N5O2 — CID 62806480

IUPAC3-amino-N-[1-(furan-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCC(NC(=O)c1nc(N)n[nH]1)c1ccco1
InChIInChI=1S/C9H11N5O2/c1-5(6-3-2-4-16-6)11-8(15)7-12-9(10)14-13-7/h2-5H,1H3,(H,11,15)(H3,10,12,13,14)
InChIKeyNZKHQNNDIWQWRW-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.47
Rot. Bonds3

About 3-amino-N-[1-(furan-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide

3-amino-N-[1-(furan-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 62806480) has the molecular formula C9H11N5O2 and a molecular weight of 221.22 g/mol. Its IUPAC name is 3-amino-N-[1-(furan-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(furan-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID62806480
Molecular FormulaC9H11N5O2
Molecular Weight221.22 g/mol
Exact Mass221.09
IUPAC Name3-amino-N-[1-(furan-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCC(NC(=O)c1nc(N)n[nH]1)c1ccco1
InChIInChI=1S/C9H11N5O2/c1-5(6-3-2-4-16-6)11-8(15)7-12-9(10)14-13-7/h2-5H,1H3,(H,11,15)(H3,10,12,13,14)
InChIKeyNZKHQNNDIWQWRW-UHFFFAOYSA-N
XLogP0.47
TPSA109.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(furan-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-[1-(furan-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide (CID 62806480) is 3-amino-N-[1-(furan-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(furan-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[1-(furan-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide is CC(NC(=O)c1nc(N)n[nH]1)c1ccco1.
What is the InChIKey of 3-amino-N-[1-(furan-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is NZKHQNNDIWQWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2/c1-5(6-3-2-4-16-6)11-8(15)7-12-9(10)14-13-7/h2-5H,1H3,(H,11,15)(H3,10,12,13,14).
What are the key properties of 3-amino-N-[1-(furan-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-[1-(furan-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 221.22 g/mol, XLogP of 0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(furan-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 62806480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).