CID 101485462

C7H6N3O2 — CID 101485462

IUPAC—
SMILESCOc1ccc2nnn([O])c2c1
InChIInChI=1S/C7H6N3O2/c1-12-5-2-3-6-7(4-5)10(11)9-8-6/h2-4H,1H3
InChIKeyIYNMRPHTLDPJCS-UHFFFAOYSA-N
MW164.14 g/mol
LogP0.63
Rot. Bonds1

About CID 101485462

CID 101485462 (PubChem CID 101485462) has the molecular formula C7H6N3O2 and a molecular weight of 164.14 g/mol.

Molecular Properties

Compound NameCID 101485462
PubChem CID101485462
Molecular FormulaC7H6N3O2
Molecular Weight164.14 g/mol
Exact Mass164.05
IUPAC Name—
SMILESCOc1ccc2nnn([O])c2c1
InChIInChI=1S/C7H6N3O2/c1-12-5-2-3-6-7(4-5)10(11)9-8-6/h2-4H,1H3
InChIKeyIYNMRPHTLDPJCS-UHFFFAOYSA-N
XLogP0.63
TPSA59.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.14
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-5-methoxybenzotriazole
CID 134294764
2-methoxy-4-(6-methoxybenzotriazol-1-yl)phenol
CID 132608233
6-methoxy-3-methyl-1,2,3-benzotriazin-4-one
CID 122431840
2-(5-methoxybenzotriazol-1-yl)acetaldehyde
CID 83829654
2-(1,1,2,2,3,3,3-heptafluoropropyl)-6-methoxy-1-(4-methoxyphenyl)benzimidazole
CID 10740892
1-(4-methoxyphenyl)-2-(6-nitrobenzotriazol-1-yl)oxyethanone
CID 7272313
[4-(6-methoxybenzotriazol-1-yl)phenyl]methylsulfonylcarbamic acid
CID 174155352
6-methoxy-2-methyl-1-(4-methylphenyl)benzimidazole
CID 155921327
1-tert-butyl-6-methoxybenzimidazole
CID 21460432
4-(benzotriazol-1-yl)-6-methoxy-2-methylquinoline
CID 110435993
2-(6-methoxybenzimidazol-1-yl)acetic acid
CID 84778979
6-methoxy-1-phenylbenzimidazole
CID 652633

Frequently Asked Questions

What is the IUPAC name of CID 101485462?
The IUPAC name of CID 101485462 (CID 101485462) is not available.
What is the SMILES notation for CID 101485462?
The canonical SMILES for CID 101485462 is COc1ccc2nnn([O])c2c1.
What is the InChIKey of CID 101485462?
The InChIKey is IYNMRPHTLDPJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N3O2/c1-12-5-2-3-6-7(4-5)10(11)9-8-6/h2-4H,1H3.
What are the key properties of CID 101485462?
CID 101485462 has a molecular weight of 164.14 g/mol, XLogP of 0.63, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101485462 is sourced from PubChem (CID 101485462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).