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

C7H11N5O3 — CID 62686002

IUPAC4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1,2,5-oxadiazole-3-carboxamide
SMILESCC(C)(NC(=O)c1nonc1N)C(N)=O
InChIInChI=1S/C7H11N5O3/c1-7(2,6(9)14)10-5(13)3-4(8)12-15-11-3/h1-2H3,(H2,8,12)(H2,9,14)(H,10,13)
InChIKeyKNFSMLCQQGFBHR-UHFFFAOYSA-N
MW213.20 g/mol
LogP-1.35
Rot. Bonds3

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

4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 62686002) has the molecular formula C7H11N5O3 and a molecular weight of 213.20 g/mol. Its IUPAC name is 4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID62686002
Molecular FormulaC7H11N5O3
Molecular Weight213.20 g/mol
Exact Mass213.09
IUPAC Name4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1,2,5-oxadiazole-3-carboxamide
SMILESCC(C)(NC(=O)c1nonc1N)C(N)=O
InChIInChI=1S/C7H11N5O3/c1-7(2,6(9)14)10-5(13)3-4(8)12-15-11-3/h1-2H3,(H2,8,12)(H2,9,14)(H,10,13)
InChIKeyKNFSMLCQQGFBHR-UHFFFAOYSA-N
XLogP-1.35
TPSA137.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1,2,5-oxadiazole-3-carboxamide (CID 62686002) is 4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1,2,5-oxadiazole-3-carboxamide is CC(C)(NC(=O)c1nonc1N)C(N)=O.
What is the InChIKey of 4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is KNFSMLCQQGFBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O3/c1-7(2,6(9)14)10-5(13)3-4(8)12-15-11-3/h1-2H3,(H2,8,12)(H2,9,14)(H,10,13).
What are the key properties of 4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 213.20 g/mol, XLogP of -1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 62686002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).