5-amino-3-propylimidazole-4-carboxamide

C7H12N4O — CID 18360499

IUPAC5-amino-3-propylimidazole-4-carboxamide
SMILESCCCn1cnc(N)c1C(N)=O
InChIInChI=1S/C7H12N4O/c1-2-3-11-4-10-6(8)5(11)7(9)12/h4H,2-3,8H2,1H3,(H2,9,12)
InChIKeyRFSTXKOSJZVNDJ-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.03
Rot. Bonds3

About 5-amino-3-propylimidazole-4-carboxamide

5-amino-3-propylimidazole-4-carboxamide (PubChem CID 18360499) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 5-amino-3-propylimidazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-propylimidazole-4-carboxamide
PubChem CID18360499
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name5-amino-3-propylimidazole-4-carboxamide
SMILESCCCn1cnc(N)c1C(N)=O
InChIInChI=1S/C7H12N4O/c1-2-3-11-4-10-6(8)5(11)7(9)12/h4H,2-3,8H2,1H3,(H2,9,12)
InChIKeyRFSTXKOSJZVNDJ-UHFFFAOYSA-N
XLogP-0.03
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-3-[(3,5-dimethylphenyl)methyl]imidazole-4-carboxamide
CID 18360492
4-amino-1-methyl-3-propylpyrazole-5-carboxamide
CID 3338044
5-[(2-acetamidoacetyl)amino]-1-propylimidazole-4-carboxamide
CID 134700326
9-propylpurine-2,6-diamine;dihydrochloride
CID 141031131
ethyl 2-(4-propyl-1,2,4-triazol-3-yl)pentanoate
CID 79472088
4-oxo-3-propylquinazoline-7-carbohydrazide
CID 66485394
4-propyl-1,2,4-triazole-3-carbaldehyde
CID 22938686
5-amino-N-(2-hydroxyethyl)-3-methylimidazole-4-carboxamide
CID 23938023
4-amino-1-ethylsulfinylpyrazole-3-carboxamide
CID 131223531
9-propylpurin-2-amine
CID 58755499
5-carbamothioyl-3-methylimidazole-4-carboxamide
CID 165354110
3,7-dipropylimidazo[4,5-f]benzimidazole
CID 46862422

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-propylimidazole-4-carboxamide?
The IUPAC name of 5-amino-3-propylimidazole-4-carboxamide (CID 18360499) is 5-amino-3-propylimidazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-propylimidazole-4-carboxamide?
The canonical SMILES for 5-amino-3-propylimidazole-4-carboxamide is CCCn1cnc(N)c1C(N)=O.
What is the InChIKey of 5-amino-3-propylimidazole-4-carboxamide?
The InChIKey is RFSTXKOSJZVNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-2-3-11-4-10-6(8)5(11)7(9)12/h4H,2-3,8H2,1H3,(H2,9,12).
What are the key properties of 5-amino-3-propylimidazole-4-carboxamide?
5-amino-3-propylimidazole-4-carboxamide has a molecular weight of 168.20 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-propylimidazole-4-carboxamide is sourced from PubChem (CID 18360499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).