CID 88576732

C10H10BN3O — CID 88576732

IUPAC—
SMILES[B]c1ccc(OC)c2nc(C3CC3)nn12
InChIInChI=1S/C10H10BN3O/c1-15-7-4-5-8(11)14-10(7)12-9(13-14)6-2-3-6/h4-6H,2-3H2,1H3
InChIKeyMQAWSPIWVJRBBV-UHFFFAOYSA-N
MW199.02 g/mol
LogP0.41
Rot. Bonds2

About CID 88576732

CID 88576732 (PubChem CID 88576732) has the molecular formula C10H10BN3O and a molecular weight of 199.02 g/mol.

Molecular Properties

Compound NameCID 88576732
PubChem CID88576732
Molecular FormulaC10H10BN3O
Molecular Weight199.02 g/mol
Exact Mass199.09
IUPAC Name—
SMILES[B]c1ccc(OC)c2nc(C3CC3)nn12
InChIInChI=1S/C10H10BN3O/c1-15-7-4-5-8(11)14-10(7)12-9(13-14)6-2-3-6/h4-6H,2-3H2,1H3
InChIKeyMQAWSPIWVJRBBV-UHFFFAOYSA-N
XLogP0.41
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.02
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)boronic acid
CID 58074662
2-cyclopropyl-8-methoxy-5-phenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 46833824
methyl 6-amino-5-methoxypyridine-2-carboxylate;methyl 2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 162153799
N-[[4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]methyl]acetamide
CID 46834673
2-(2-chlorophenyl)-1-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)ethanone;methyl 2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 158737252
2-cyclopropyl-5-iodo-8-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 154514161
2-cyclobutyl-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 169150760
2-cyclopropyl-3-methoxy-6-methylpyridine
CID 126627293
5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyridine-3-carbonitrile;2-methylsulfonylethylcarbamic acid
CID 118913997
5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-3H-2-benzofuran-1-one;2-(dimethylsulfamoyl)ethylcarbamic acid
CID 118913996
7-chloro-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-2-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 163532194
2-cyclohexyl-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 83965248

Frequently Asked Questions

What is the IUPAC name of CID 88576732?
The IUPAC name of CID 88576732 (CID 88576732) is not available.
What is the SMILES notation for CID 88576732?
The canonical SMILES for CID 88576732 is [B]c1ccc(OC)c2nc(C3CC3)nn12.
What is the InChIKey of CID 88576732?
The InChIKey is MQAWSPIWVJRBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BN3O/c1-15-7-4-5-8(11)14-10(7)12-9(13-14)6-2-3-6/h4-6H,2-3H2,1H3.
What are the key properties of CID 88576732?
CID 88576732 has a molecular weight of 199.02 g/mol, XLogP of 0.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88576732 is sourced from PubChem (CID 88576732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).