imidazole-1-carboxamide;propan-2-ol

C7H13N3O2 — CID 121360857

IUPACimidazole-1-carboxamide;propan-2-ol
SMILESCC(C)O.NC(=O)n1ccnc1
InChIInChI=1S/C4H5N3O.C3H8O/c5-4(8)7-2-1-6-3-7;1-3(2)4/h1-3H,(H2,5,8);3-4H,1-2H3
InChIKeyQLDXFVPFINWQNR-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.20
Rot. Bonds

About imidazole-1-carboxamide;propan-2-ol

imidazole-1-carboxamide;propan-2-ol (PubChem CID 121360857) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is imidazole-1-carboxamide;propan-2-ol.

Molecular Properties

Compound Nameimidazole-1-carboxamide;propan-2-ol
PubChem CID121360857
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Nameimidazole-1-carboxamide;propan-2-ol
SMILESCC(C)O.NC(=O)n1ccnc1
InChIInChI=1S/C4H5N3O.C3H8O/c5-4(8)7-2-1-6-3-7;1-3(2)4/h1-3H,(H2,5,8);3-4H,1-2H3
InChIKeyQLDXFVPFINWQNR-UHFFFAOYSA-N
XLogP0.20
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-amino-1-oxopropan-2-yl]imidazole-1-carboxamide
CID 126980828
(4-imidazol-1-yl-4-oxobutan-2-yl) carbamate
CID 175422080
N-ethoxyimidazole-1-carboxamide
CID 71385822
N-[(2S)-butan-2-yl]imidazole-1-carboxamide
CID 39871202
N-(3-methyl-2-propan-2-ylbutyl)imidazole-1-carboxamide
CID 102908387
S-methyl imidazole-1-carbothioate
CID 59105486
3-(imidazole-1-carbonylamino)-2-methylidenebutanoic acid
CID 175030906
di(imidazol-1-yl)methanone;2-methylpropyl carbonochloridate
CID 129285445
N-[1-(2H-tetrazol-5-yl)ethyl]imidazole-1-carboxamide
CID 81270154
N-(2-sulfanylethyl)imidazole-1-carboxamide
CID 58107367
di(imidazol-1-yl)methanone;1,3-dimethylurea;methanamine;methane
CID 159445529
N-methyl-N-propylimidazole-1-carboxamide
CID 78983424

Frequently Asked Questions

What is the IUPAC name of imidazole-1-carboxamide;propan-2-ol?
The IUPAC name of imidazole-1-carboxamide;propan-2-ol (CID 121360857) is imidazole-1-carboxamide;propan-2-ol.
What is the SMILES notation for imidazole-1-carboxamide;propan-2-ol?
The canonical SMILES for imidazole-1-carboxamide;propan-2-ol is CC(C)O.NC(=O)n1ccnc1.
What is the InChIKey of imidazole-1-carboxamide;propan-2-ol?
The InChIKey is QLDXFVPFINWQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O.C3H8O/c5-4(8)7-2-1-6-3-7;1-3(2)4/h1-3H,(H2,5,8);3-4H,1-2H3.
What are the key properties of imidazole-1-carboxamide;propan-2-ol?
imidazole-1-carboxamide;propan-2-ol has a molecular weight of 171.20 g/mol, XLogP of 0.20, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imidazole-1-carboxamide;propan-2-ol is sourced from PubChem (CID 121360857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).