CID 59432002

C9H14N3O — CID 59432002

IUPAC—
SMILESCC(C)C(=O)[C@@H]([NH])Cc1cnc[nH]1
InChIInChI=1S/C9H14N3O/c1-6(2)9(13)8(10)3-7-4-11-5-12-7/h4-6,8,10H,3H2,1-2H3,(H,11,12)/t8-/m0/s1
InChIKeyBTVBMBUKACRZBG-QMMMGPOBSA-N
MW180.23 g/mol
LogP0.83
Rot. Bonds4

About CID 59432002

CID 59432002 (PubChem CID 59432002) has the molecular formula C9H14N3O and a molecular weight of 180.23 g/mol.

Molecular Properties

Compound NameCID 59432002
PubChem CID59432002
Molecular FormulaC9H14N3O
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Name—
SMILESCC(C)C(=O)[C@@H]([NH])Cc1cnc[nH]1
InChIInChI=1S/C9H14N3O/c1-6(2)9(13)8(10)3-7-4-11-5-12-7/h4-6,8,10H,3H2,1-2H3,(H,11,12)/t8-/m0/s1
InChIKeyBTVBMBUKACRZBG-QMMMGPOBSA-N
XLogP0.83
TPSA69.55 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 59668993
3-hydroxy-1-(1H-imidazol-5-yl)butan-2-one
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5-(2,3-dimethylbutyl)-1H-imidazole
CID 149460105
[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]azanium
CID 86580368
3-amino-4-(1H-imidazol-5-yl)butan-2-one;dihydrochloride
CID 45260587
3-amino-4-(1H-imidazol-5-yl)butan-2-one;ethane
CID 177242295
(2R)-1-(1H-imidazol-5-yl)propan-2-amine chloride
CID 53313193
tert-butyl N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]carbamate
CID 130852205
2-cyano-N-[1-(1H-imidazol-5-yl)propan-2-yl]acetamide
CID 20775187
(2S)-2-amino-3-((2,4-13C2)1H-imidazol-5-yl)(113C)propanoic acid
CID 102176482
(2R)-2-amino-3-(1H-imidazol-5-yl)propanamide
CID 22877832
3-amino-4-(1H-imidazol-5-yl)butan-2-ol
CID 123261764

Frequently Asked Questions

What is the IUPAC name of CID 59432002?
The IUPAC name of CID 59432002 (CID 59432002) is not available.
What is the SMILES notation for CID 59432002?
The canonical SMILES for CID 59432002 is CC(C)C(=O)[C@@H]([NH])Cc1cnc[nH]1.
What is the InChIKey of CID 59432002?
The InChIKey is BTVBMBUKACRZBG-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H14N3O/c1-6(2)9(13)8(10)3-7-4-11-5-12-7/h4-6,8,10H,3H2,1-2H3,(H,11,12)/t8-/m0/s1.
What are the key properties of CID 59432002?
CID 59432002 has a molecular weight of 180.23 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59432002 is sourced from PubChem (CID 59432002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).