2-amino-3H-pteridin-4-one;azane

C6H8N6O — CID 174295951

IUPAC2-amino-3H-pteridin-4-one;azane
SMILESN.Nc1nc2nccnc2c(=O)[nH]1
InChIInChI=1S/C6H5N5O.H3N/c7-6-10-4-3(5(12)11-6)8-1-2-9-4;/h1-2H,(H3,7,9,10,11,12);1H3
InChIKeyHRYHBCLVLFLOAU-UHFFFAOYSA-N
MW180.17 g/mol
LogP-0.54
Rot. Bonds

About 2-amino-3H-pteridin-4-one;azane

2-amino-3H-pteridin-4-one;azane (PubChem CID 174295951) has the molecular formula C6H8N6O and a molecular weight of 180.17 g/mol. Its IUPAC name is 2-amino-3H-pteridin-4-one;azane.

Molecular Properties

Compound Name2-amino-3H-pteridin-4-one;azane
PubChem CID174295951
Molecular FormulaC6H8N6O
Molecular Weight180.17 g/mol
Exact Mass180.08
IUPAC Name2-amino-3H-pteridin-4-one;azane
SMILESN.Nc1nc2nccnc2c(=O)[nH]1
InChIInChI=1S/C6H5N5O.H3N/c7-6-10-4-3(5(12)11-6)8-1-2-9-4;/h1-2H,(H3,7,9,10,11,12);1H3
InChIKeyHRYHBCLVLFLOAU-UHFFFAOYSA-N
XLogP-0.54
TPSA132.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-3H-pteridin-4-one;methanamine
CID 146301753
CID 172754985
CID 172754985
2-amino-4-oxo-3H-pteridine-6-carbaldehyde
CID 135409352
2-pyridin-4-yl-3H-pteridin-4-one
CID 135932000
magnesium;2-amino-1,7-dihydropurin-6-one;dichloride
CID 174866452
2-piperidin-1-yl-3H-pteridin-4-one
CID 137198974
2-amino-6-(3-hydroxypropyl)-3H-pteridin-4-one
CID 137234292
2-hydrazinyl-3H-pteridin-4-one;2-hydroxyacetic acid
CID 175444308
2-(propylamino)-3H-pteridin-4-one
CID 141118544
2-amino-7-benzyl-3H-pteridin-4-one
CID 135822639
2-amino-6-(1,2,3-trihydroxypropyl)-3H-pteridin-4-one
CID 135408877
2-amino-3H-pteridin-4-one;1,12-dimethyl-1,2,11,12-tetrahydrochrysene
CID 174680248

Frequently Asked Questions

What is the IUPAC name of 2-amino-3H-pteridin-4-one;azane?
The IUPAC name of 2-amino-3H-pteridin-4-one;azane (CID 174295951) is 2-amino-3H-pteridin-4-one;azane.
What is the SMILES notation for 2-amino-3H-pteridin-4-one;azane?
The canonical SMILES for 2-amino-3H-pteridin-4-one;azane is N.Nc1nc2nccnc2c(=O)[nH]1.
What is the InChIKey of 2-amino-3H-pteridin-4-one;azane?
The InChIKey is HRYHBCLVLFLOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N5O.H3N/c7-6-10-4-3(5(12)11-6)8-1-2-9-4;/h1-2H,(H3,7,9,10,11,12);1H3.
What are the key properties of 2-amino-3H-pteridin-4-one;azane?
2-amino-3H-pteridin-4-one;azane has a molecular weight of 180.17 g/mol, XLogP of -0.54, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3H-pteridin-4-one;azane is sourced from PubChem (CID 174295951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).