CID 57442291

C4H3N2O — CID 57442291

IUPAC—
SMILES[O]c1ncccn1
InChIInChI=1S/C4H3N2O/c7-4-5-2-1-3-6-4/h1-3H
InChIKeyBSACTHHIMKWVLX-UHFFFAOYSA-N
MW95.08 g/mol
LogP0.62
Rot. Bonds

About CID 57442291

CID 57442291 (PubChem CID 57442291) has the molecular formula C4H3N2O and a molecular weight of 95.08 g/mol.

Molecular Properties

Compound NameCID 57442291
PubChem CID57442291
Molecular FormulaC4H3N2O
Molecular Weight95.08 g/mol
Exact Mass95.02
IUPAC Name—
SMILES[O]c1ncccn1
InChIInChI=1S/C4H3N2O/c7-4-5-2-1-3-6-4/h1-3H
InChIKeyBSACTHHIMKWVLX-UHFFFAOYSA-N
XLogP0.62
TPSA45.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.08
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

iridium(3+);1,5-naphthyridine
CID 175728214
pyrimidine-2-thiolate
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bis(2-pyrimidin-1-ium-2-ylpyrimidine);2-pyrimidin-2-ylpyrimidine;ruthenium(6+)
CID 138967951
formaldehyde;bis(1,5-naphthyridine);phosphoric acid
CID 175591589
2-fluoropyrimidine;sulfane
CID 174635058
pyrimidin-2-amine;hydrate
CID 174293375
azane;pyrimidin-2-amine
CID 174721479
2-pyrimidin-2-ylsulfanylpyrimidine
CID 13357482
(Z)-2-pyrimidin-2-ylethenol
CID 162729567
N-methoxypyrimidin-2-amine
CID 89077854
2-(2-nitroethenyl)pyrimidine
CID 131888261
ethane;1,5-naphthyridine;propane
CID 142434189

Frequently Asked Questions

What is the IUPAC name of CID 57442291?
The IUPAC name of CID 57442291 (CID 57442291) is not available.
What is the SMILES notation for CID 57442291?
The canonical SMILES for CID 57442291 is [O]c1ncccn1.
What is the InChIKey of CID 57442291?
The InChIKey is BSACTHHIMKWVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N2O/c7-4-5-2-1-3-6-4/h1-3H.
What are the key properties of CID 57442291?
CID 57442291 has a molecular weight of 95.08 g/mol, XLogP of 0.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57442291 is sourced from PubChem (CID 57442291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).