2-(3-amino-1H-1,2,4-triazol-5-yl)acetamide

C4H7N5O — CID 52897372

IUPAC2-(3-amino-1H-1,2,4-triazol-5-yl)acetamide
SMILESNC(=O)Cc1nc(N)n[nH]1
InChIInChI=1S/C4H7N5O/c5-2(10)1-3-7-4(6)9-8-3/h1H2,(H2,5,10)(H3,6,7,8,9)
InChIKeyZZSGYZBOWQYNHE-UHFFFAOYSA-N
MW141.13 g/mol
LogP-1.59
Rot. Bonds2

About 2-(3-amino-1H-1,2,4-triazol-5-yl)acetamide

2-(3-amino-1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 52897372) has the molecular formula C4H7N5O and a molecular weight of 141.13 g/mol. Its IUPAC name is 2-(3-amino-1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(3-amino-1H-1,2,4-triazol-5-yl)acetamide
PubChem CID52897372
Molecular FormulaC4H7N5O
Molecular Weight141.13 g/mol
Exact Mass141.07
IUPAC Name2-(3-amino-1H-1,2,4-triazol-5-yl)acetamide
SMILESNC(=O)Cc1nc(N)n[nH]1
InChIInChI=1S/C4H7N5O/c5-2(10)1-3-7-4(6)9-8-3/h1H2,(H2,5,10)(H3,6,7,8,9)
InChIKeyZZSGYZBOWQYNHE-UHFFFAOYSA-N
XLogP-1.59
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-1.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-(3-amino-1H-1,2,4-triazol-5-yl)acetamide (CID 52897372) is 2-(3-amino-1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-(3-amino-1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-(3-amino-1H-1,2,4-triazol-5-yl)acetamide is NC(=O)Cc1nc(N)n[nH]1.
What is the InChIKey of 2-(3-amino-1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is ZZSGYZBOWQYNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5O/c5-2(10)1-3-7-4(6)9-8-3/h1H2,(H2,5,10)(H3,6,7,8,9).
What are the key properties of 2-(3-amino-1H-1,2,4-triazol-5-yl)acetamide?
2-(3-amino-1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 141.13 g/mol, XLogP of -1.59, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 52897372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).