CID 59303850

C9H7N3O — CID 59303850

IUPAC—
SMILES[CH]C(=O)c1ccc2nnn(C)c2c1
InChIInChI=1S/C9H7N3O/c1-6(13)7-3-4-8-9(5-7)12(2)11-10-8/h1,3-5H,2H3
InChIKeyJGAAALQPBJIDQF-UHFFFAOYSA-N
MW173.17 g/mol
LogP0.86
Rot. Bonds1

About CID 59303850

CID 59303850 (PubChem CID 59303850) has the molecular formula C9H7N3O and a molecular weight of 173.17 g/mol.

Molecular Properties

Compound NameCID 59303850
PubChem CID59303850
Molecular FormulaC9H7N3O
Molecular Weight173.17 g/mol
Exact Mass173.06
IUPAC Name—
SMILES[CH]C(=O)c1ccc2nnn(C)c2c1
InChIInChI=1S/C9H7N3O/c1-6(13)7-3-4-8-9(5-7)12(2)11-10-8/h1,3-5H,2H3
InChIKeyJGAAALQPBJIDQF-UHFFFAOYSA-N
XLogP0.86
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,3-dimethyl-N-phenylbenzotriazole-5-carboxamide
CID 136530360
6-iodo-1-methylbenzotriazole
CID 121232021
1-(3-methylbenzotriazol-5-yl)-2-(6-methyl-2-pyridinyl)ethanone
CID 68898650
2-(3-methylbenzotriazol-5-yl)propan-2-ol
CID 117282413
2-methyl-1-(1-methylbenzotriazol-5-yl)propan-1-one
CID 112713248
(3-methylbenzotriazol-5-yl)methanesulfonyl chloride
CID 84705364
N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N,3-dimethylbenzotriazole-5-carboxamide
CID 128982032
(6-acetylbenzotriazol-1-yl) acetate
CID 163253739
(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(3-methylbenzotriazol-5-yl)methanone
CID 127839931
N-(4-acetamidophenyl)-1-methylbenzotriazole-5-carboxamide
CID 53051571
3-methyl-N-(9-oxo-9λ6-thia-1-azaspiro[4.5]decan-9-ylidene)benzotriazole-5-carboxamide
CID 146114110
(3-methylbenzotriazol-5-yl)-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 129491275

Frequently Asked Questions

What is the IUPAC name of CID 59303850?
The IUPAC name of CID 59303850 (CID 59303850) is not available.
What is the SMILES notation for CID 59303850?
The canonical SMILES for CID 59303850 is [CH]C(=O)c1ccc2nnn(C)c2c1.
What is the InChIKey of CID 59303850?
The InChIKey is JGAAALQPBJIDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O/c1-6(13)7-3-4-8-9(5-7)12(2)11-10-8/h1,3-5H,2H3.
What are the key properties of CID 59303850?
CID 59303850 has a molecular weight of 173.17 g/mol, XLogP of 0.86, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59303850 is sourced from PubChem (CID 59303850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).