benzo[g]pteridine

C10H6N4 — CID 11966231

IUPACbenzo[g]pteridine
SMILESc1ccc2nc3ncncc3nc2c1
InChIInChI=1S/C10H6N4/c1-2-4-8-7(3-1)13-9-5-11-6-12-10(9)14-8/h1-6H
InChIKeyBTZVACANDIHKJX-UHFFFAOYSA-N
MW182.19 g/mol
LogP1.57
Rot. Bonds

About benzo[g]pteridine

benzo[g]pteridine (PubChem CID 11966231) has the molecular formula C10H6N4 and a molecular weight of 182.19 g/mol. Its IUPAC name is benzo[g]pteridine.

Molecular Properties

Compound Namebenzo[g]pteridine
PubChem CID11966231
Molecular FormulaC10H6N4
Molecular Weight182.19 g/mol
Exact Mass182.06
IUPAC Namebenzo[g]pteridine
SMILESc1ccc2nc3ncncc3nc2c1
InChIInChI=1S/C10H6N4/c1-2-4-8-7(3-1)13-9-5-11-6-12-10(9)14-8/h1-6H
InChIKeyBTZVACANDIHKJX-UHFFFAOYSA-N
XLogP1.57
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

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CID 5328376
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CID 446744
CID 24801862
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CID 947740
CID 947740
CID 5328273
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CID 817566
CID 817566
CID 105041
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CID 6450818
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CID 3056069
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Frequently Asked Questions

What is the IUPAC name of benzo[g]pteridine?
The IUPAC name of benzo[g]pteridine (CID 11966231) is benzo[g]pteridine.
What is the SMILES notation for benzo[g]pteridine?
The canonical SMILES for benzo[g]pteridine is c1ccc2nc3ncncc3nc2c1.
What is the InChIKey of benzo[g]pteridine?
The InChIKey is BTZVACANDIHKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4/c1-2-4-8-7(3-1)13-9-5-11-6-12-10(9)14-8/h1-6H.
What are the key properties of benzo[g]pteridine?
benzo[g]pteridine has a molecular weight of 182.19 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[g]pteridine is sourced from PubChem (CID 11966231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).