2-hydrazinyl-3H-pteridin-4-one;2-hydroxyacetic acid

C8H10N6O4 — CID 175444308

IUPAC2-hydrazinyl-3H-pteridin-4-one;2-hydroxyacetic acid
SMILESNNc1nc2nccnc2c(=O)[nH]1.O=C(O)CO
InChIInChI=1S/C6H6N6O.C2H4O3/c7-12-6-10-4-3(5(13)11-6)8-1-2-9-4;3-1-2(4)5/h1-2H,7H2,(H2,9,10,11,12,13);3H,1H2,(H,4,5)
InChIKeyHVTUKMBEKKTQDK-UHFFFAOYSA-N
MW254.21 g/mol
LogP-1.94
Rot. Bonds2

About 2-hydrazinyl-3H-pteridin-4-one;2-hydroxyacetic acid

2-hydrazinyl-3H-pteridin-4-one;2-hydroxyacetic acid (PubChem CID 175444308) has the molecular formula C8H10N6O4 and a molecular weight of 254.21 g/mol. Its IUPAC name is 2-hydrazinyl-3H-pteridin-4-one;2-hydroxyacetic acid.

Molecular Properties

Compound Name2-hydrazinyl-3H-pteridin-4-one;2-hydroxyacetic acid
PubChem CID175444308
Molecular FormulaC8H10N6O4
Molecular Weight254.21 g/mol
Exact Mass254.08
IUPAC Name2-hydrazinyl-3H-pteridin-4-one;2-hydroxyacetic acid
SMILESNNc1nc2nccnc2c(=O)[nH]1.O=C(O)CO
InChIInChI=1S/C6H6N6O.C2H4O3/c7-12-6-10-4-3(5(13)11-6)8-1-2-9-4;3-1-2(4)5/h1-2H,7H2,(H2,9,10,11,12,13);3H,1H2,(H,4,5)
InChIKeyHVTUKMBEKKTQDK-UHFFFAOYSA-N
XLogP-1.94
TPSA167.11 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 5-1.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 172754985
CID 172754985
2-(propylamino)-3H-pteridin-4-one
CID 141118544
2-amino-3H-pteridin-4-one;azane
CID 174295951
2-amino-3H-pteridin-4-one;methanamine
CID 146301753
2-[hydroxymethyl(methylamino)amino]-3H-pteridin-4-one
CID 141246883
N-[(4-oxo-3H-pteridin-2-yl)methyl]-3-phenylpropanamide
CID 160656435
2-piperidin-1-yl-3H-pteridin-4-one
CID 137198974
2-(benzylsulfanylmethyl)-3H-pteridin-4-one
CID 135536693
2-pyridin-4-yl-3H-pteridin-4-one
CID 135932000
2-[(6-oxo-1,7-dihydropurin-2-yl)amino]acetic acid
CID 135456846
2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-3H-pteridin-4-one
CID 135585432
2-[chloromethyl(nitrosomethyl)amino]-3H-pteridin-4-one
CID 141095350

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-3H-pteridin-4-one;2-hydroxyacetic acid?
The IUPAC name of 2-hydrazinyl-3H-pteridin-4-one;2-hydroxyacetic acid (CID 175444308) is 2-hydrazinyl-3H-pteridin-4-one;2-hydroxyacetic acid.
What is the SMILES notation for 2-hydrazinyl-3H-pteridin-4-one;2-hydroxyacetic acid?
The canonical SMILES for 2-hydrazinyl-3H-pteridin-4-one;2-hydroxyacetic acid is NNc1nc2nccnc2c(=O)[nH]1.O=C(O)CO.
What is the InChIKey of 2-hydrazinyl-3H-pteridin-4-one;2-hydroxyacetic acid?
The InChIKey is HVTUKMBEKKTQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N6O.C2H4O3/c7-12-6-10-4-3(5(13)11-6)8-1-2-9-4;3-1-2(4)5/h1-2H,7H2,(H2,9,10,11,12,13);3H,1H2,(H,4,5).
What are the key properties of 2-hydrazinyl-3H-pteridin-4-one;2-hydroxyacetic acid?
2-hydrazinyl-3H-pteridin-4-one;2-hydroxyacetic acid has a molecular weight of 254.21 g/mol, XLogP of -1.94, 2 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-3H-pteridin-4-one;2-hydroxyacetic acid is sourced from PubChem (CID 175444308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).