N-(1-amino-1-oxopropan-2-yl)-2H-triazole-4-carboxamide

C6H9N5O2 — CID 112732798

IUPACN-(1-amino-1-oxopropan-2-yl)-2H-triazole-4-carboxamide
SMILESCC(NC(=O)c1cn[nH]n1)C(N)=O
InChIInChI=1S/C6H9N5O2/c1-3(5(7)12)9-6(13)4-2-8-11-10-4/h2-3H,1H3,(H2,7,12)(H,9,13)(H,8,10,11)
InChIKeyGAAYSEBHGUZDNN-UHFFFAOYSA-N
MW183.17 g/mol
LogP-1.59
Rot. Bonds3

About N-(1-amino-1-oxopropan-2-yl)-2H-triazole-4-carboxamide

N-(1-amino-1-oxopropan-2-yl)-2H-triazole-4-carboxamide (PubChem CID 112732798) has the molecular formula C6H9N5O2 and a molecular weight of 183.17 g/mol. Its IUPAC name is N-(1-amino-1-oxopropan-2-yl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-oxopropan-2-yl)-2H-triazole-4-carboxamide
PubChem CID112732798
Molecular FormulaC6H9N5O2
Molecular Weight183.17 g/mol
Exact Mass183.08
IUPAC NameN-(1-amino-1-oxopropan-2-yl)-2H-triazole-4-carboxamide
SMILESCC(NC(=O)c1cn[nH]n1)C(N)=O
InChIInChI=1S/C6H9N5O2/c1-3(5(7)12)9-6(13)4-2-8-11-10-4/h2-3H,1H3,(H2,7,12)(H,9,13)(H,8,10,11)
InChIKeyGAAYSEBHGUZDNN-UHFFFAOYSA-N
XLogP-1.59
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
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 N-(1-amino-1-oxopropan-2-yl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(1-amino-1-oxopropan-2-yl)-2H-triazole-4-carboxamide (CID 112732798) is N-(1-amino-1-oxopropan-2-yl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(1-amino-1-oxopropan-2-yl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(1-amino-1-oxopropan-2-yl)-2H-triazole-4-carboxamide is CC(NC(=O)c1cn[nH]n1)C(N)=O.
What is the InChIKey of N-(1-amino-1-oxopropan-2-yl)-2H-triazole-4-carboxamide?
The InChIKey is GAAYSEBHGUZDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O2/c1-3(5(7)12)9-6(13)4-2-8-11-10-4/h2-3H,1H3,(H2,7,12)(H,9,13)(H,8,10,11).
What are the key properties of N-(1-amino-1-oxopropan-2-yl)-2H-triazole-4-carboxamide?
N-(1-amino-1-oxopropan-2-yl)-2H-triazole-4-carboxamide has a molecular weight of 183.17 g/mol, XLogP of -1.59, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxopropan-2-yl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 112732798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).