N-(1-amino-2,3-dimethylbutan-2-yl)-1H-imidazole-5-carboxamide

C10H18N4O — CID 115310453

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-1H-imidazole-5-carboxamide
SMILESCC(C)C(C)(CN)NC(=O)c1cnc[nH]1
InChIInChI=1S/C10H18N4O/c1-7(2)10(3,5-11)14-9(15)8-4-12-6-13-8/h4,6-7H,5,11H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyNPZSWZBDAJZBNH-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.51
Rot. Bonds4

About N-(1-amino-2,3-dimethylbutan-2-yl)-1H-imidazole-5-carboxamide

N-(1-amino-2,3-dimethylbutan-2-yl)-1H-imidazole-5-carboxamide (PubChem CID 115310453) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-1H-imidazole-5-carboxamide
PubChem CID115310453
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-1H-imidazole-5-carboxamide
SMILESCC(C)C(C)(CN)NC(=O)c1cnc[nH]1
InChIInChI=1S/C10H18N4O/c1-7(2)10(3,5-11)14-9(15)8-4-12-6-13-8/h4,6-7H,5,11H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyNPZSWZBDAJZBNH-UHFFFAOYSA-N
XLogP0.51
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-aminopropan-2-yl]-1H-imidazole-5-carboxamide
CID 104877130
N-(1-amino-2,3-dimethylbutan-2-yl)-5-hydroxypyridine-3-carboxamide
CID 113283967
N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 113283943
1H-imidazole-5-carbohydrazide;hydrochloride
CID 141069695
N-[(2R)-2-hydroxypropyl]-1H-imidazole-5-carboxamide
CID 83031870
N-(1-amino-2,3-dimethylbutan-2-yl)-2-chlorofuran-3-carboxamide
CID 106688596
N-[(3S)-2,5-dimethyl-4-oxohexan-3-yl]-1H-imidazole-5-carboxamide
CID 141300351
N-(1-amino-2,3-dimethylbutan-2-yl)-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide
CID 113283957
N-(1-amino-2,3-dimethylbutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride
CID 119607870
N-(1-amino-2,3-dimethylbutan-2-yl)-5-cyanopyridine-2-carboxamide
CID 115310434
N-(N'-ethylcarbamimidoyl)-1H-imidazole-5-carboxamide
CID 89269736
N-(1-amino-2,3-dimethylbutan-2-yl)-5-methylfuran-2-carboxamide
CID 81486834

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-1H-imidazole-5-carboxamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-1H-imidazole-5-carboxamide (CID 115310453) is N-(1-amino-2,3-dimethylbutan-2-yl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-1H-imidazole-5-carboxamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-1H-imidazole-5-carboxamide is CC(C)C(C)(CN)NC(=O)c1cnc[nH]1.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-1H-imidazole-5-carboxamide?
The InChIKey is NPZSWZBDAJZBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-7(2)10(3,5-11)14-9(15)8-4-12-6-13-8/h4,6-7H,5,11H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-1H-imidazole-5-carboxamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-1H-imidazole-5-carboxamide has a molecular weight of 210.28 g/mol, XLogP of 0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 115310453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).