4-amino-N-propan-2-yl-1H-imidazole-5-carboxamide

C7H12N4O — CID 117213982

IUPAC4-amino-N-propan-2-yl-1H-imidazole-5-carboxamide
SMILESCC(C)NC(=O)c1[nH]cnc1N
InChIInChI=1S/C7H12N4O/c1-4(2)11-7(12)5-6(8)10-3-9-5/h3-4H,8H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyRWTJYKSGESZNBE-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.13
Rot. Bonds2

About 4-amino-N-propan-2-yl-1H-imidazole-5-carboxamide

4-amino-N-propan-2-yl-1H-imidazole-5-carboxamide (PubChem CID 117213982) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 4-amino-N-propan-2-yl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-propan-2-yl-1H-imidazole-5-carboxamide
PubChem CID117213982
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name4-amino-N-propan-2-yl-1H-imidazole-5-carboxamide
SMILESCC(C)NC(=O)c1[nH]cnc1N
InChIInChI=1S/C7H12N4O/c1-4(2)11-7(12)5-6(8)10-3-9-5/h3-4H,8H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyRWTJYKSGESZNBE-UHFFFAOYSA-N
XLogP0.13
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(15N)azanyl-1H-imidazole-5-(14N)carboxamide
CID 101129871
4-amino-1H-imidazole-5-carboxamide;molecular hydrogen
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CID 136501496
5-amino-N-propan-2-yl-1,3-thiazole-2-carboxamide
CID 83697073
4-(propan-2-ylamino)-1H-imidazole-5-carboxamide
CID 58431037
(4-amino-1H-imidazol-5-yl)-(4-methoxyphenyl)methanone
CID 11506772
N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-2-methylpropanamide
CID 135741768
4-amino-N'-methoxy-1H-imidazole-5-carboximidamide
CID 135992594
5-amino-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 117214875
5-N-(furan-2-ylmethyl)-4-N-propan-2-yl-1H-imidazole-4,5-dicarboxamide
CID 50755921
5-hydrazinyl-N-propan-2-ylpyrazine-2-carboxamide
CID 107377682
4-amino-N-propan-2-ylpyrimidine-2-carboxamide
CID 117213055

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-propan-2-yl-1H-imidazole-5-carboxamide?
The IUPAC name of 4-amino-N-propan-2-yl-1H-imidazole-5-carboxamide (CID 117213982) is 4-amino-N-propan-2-yl-1H-imidazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-propan-2-yl-1H-imidazole-5-carboxamide?
The canonical SMILES for 4-amino-N-propan-2-yl-1H-imidazole-5-carboxamide is CC(C)NC(=O)c1[nH]cnc1N.
What is the InChIKey of 4-amino-N-propan-2-yl-1H-imidazole-5-carboxamide?
The InChIKey is RWTJYKSGESZNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-4(2)11-7(12)5-6(8)10-3-9-5/h3-4H,8H2,1-2H3,(H,9,10)(H,11,12).
What are the key properties of 4-amino-N-propan-2-yl-1H-imidazole-5-carboxamide?
4-amino-N-propan-2-yl-1H-imidazole-5-carboxamide has a molecular weight of 168.20 g/mol, XLogP of 0.13, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-propan-2-yl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 117213982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).