3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1H-1,2,4-triazole-5-carboxamide

C7H12N6O2 — CID 62793698

IUPAC3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESCC(C)(NC(=O)c1nc(N)n[nH]1)C(N)=O
InChIInChI=1S/C7H12N6O2/c1-7(2,5(8)15)11-4(14)3-10-6(9)13-12-3/h1-2H3,(H2,8,15)(H,11,14)(H3,9,10,12,13)
InChIKeyBCEHVGMEZGUVCT-UHFFFAOYSA-N
MW212.21 g/mol
LogP-1.62
Rot. Bonds3

About 3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1H-1,2,4-triazole-5-carboxamide

3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 62793698) has the molecular formula C7H12N6O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID62793698
Molecular FormulaC7H12N6O2
Molecular Weight212.21 g/mol
Exact Mass212.10
IUPAC Name3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESCC(C)(NC(=O)c1nc(N)n[nH]1)C(N)=O
InChIInChI=1S/C7H12N6O2/c1-7(2,5(8)15)11-4(14)3-10-6(9)13-12-3/h1-2H3,(H2,8,15)(H,11,14)(H3,9,10,12,13)
InChIKeyBCEHVGMEZGUVCT-UHFFFAOYSA-N
XLogP-1.62
TPSA139.78 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-1.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1H-1,2,4-triazole-5-carboxamide (CID 62793698) is 3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1H-1,2,4-triazole-5-carboxamide is CC(C)(NC(=O)c1nc(N)n[nH]1)C(N)=O.
What is the InChIKey of 3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is BCEHVGMEZGUVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N6O2/c1-7(2,5(8)15)11-4(14)3-10-6(9)13-12-3/h1-2H3,(H2,8,15)(H,11,14)(H3,9,10,12,13).
What are the key properties of 3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 212.21 g/mol, XLogP of -1.62, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 62793698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).