CID 164593281

C7H8BN3 — CID 164593281

IUPAC—
SMILES[H]/N=C(\C)c1cc([B])cnc1N
InChIInChI=1S/C7H8BN3/c1-4(9)6-2-5(8)3-11-7(6)10/h2-3,9H,1H3,(H2,10,11)/b9-4+
InChIKeyRSFIEHUCGPCCNQ-RUDMXATFSA-N
MW144.97 g/mol
LogP-0.15
Rot. Bonds1

About CID 164593281

CID 164593281 (PubChem CID 164593281) has the molecular formula C7H8BN3 and a molecular weight of 144.97 g/mol.

Molecular Properties

Compound NameCID 164593281
PubChem CID164593281
Molecular FormulaC7H8BN3
Molecular Weight144.97 g/mol
Exact Mass145.08
IUPAC Name—
SMILES[H]/N=C(\C)c1cc([B])cnc1N
InChIInChI=1S/C7H8BN3/c1-4(9)6-2-5(8)3-11-7(6)10/h2-3,9H,1H3,(H2,10,11)/b9-4+
InChIKeyRSFIEHUCGPCCNQ-RUDMXATFSA-N
XLogP-0.15
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.97
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-bromo-4-ethanimidoylpyridin-3-amine
CID 143774873
CID 89088027
CID 89088027
2-chloro-5-ethanimidoylpyridin-4-amine
CID 144767803
4-[(6-amino-5-ethanimidoyl-3-pyridinyl)oxymethyl]-3-chloro-5-fluoropyridin-2-amine
CID 171465706
5-bromo-3-ethanimidoylpyrazin-2-amine
CID 143774899
1-(4,6-dimethyl-3-pyridinyl)ethanimine
CID 123920913
butane;2-chloro-5-ethanimidoylpyridin-4-amine;ethane
CID 144767802
2-[(4-amino-5-ethanimidoylpyrimidin-2-yl)amino]ethanol
CID 143150934
1-(2-amino-5-cyclopropyl-3-pyridinyl)-1-iminopropan-2-one
CID 145225076
2-(2,6-dichloro-3,5-dimethoxyphenyl)-5-ethanimidoylpyrimidin-4-amine;ethane
CID 145019698
1-(4,5-dimethyl-2-pyridinyl)ethanimine
CID 144541675
ethane;methyl 2-(2-amino-5-bromo-3-pyridinyl)-2-iminoacetate
CID 143359554

Frequently Asked Questions

What is the IUPAC name of CID 164593281?
The IUPAC name of CID 164593281 (CID 164593281) is not available.
What is the SMILES notation for CID 164593281?
The canonical SMILES for CID 164593281 is [H]/N=C(\C)c1cc([B])cnc1N.
What is the InChIKey of CID 164593281?
The InChIKey is RSFIEHUCGPCCNQ-RUDMXATFSA-N. The full InChI is InChI=1S/C7H8BN3/c1-4(9)6-2-5(8)3-11-7(6)10/h2-3,9H,1H3,(H2,10,11)/b9-4+.
What are the key properties of CID 164593281?
CID 164593281 has a molecular weight of 144.97 g/mol, XLogP of -0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164593281 is sourced from PubChem (CID 164593281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).