CID 59944332

C4H5N4 — CID 59944332

IUPAC—
SMILESCc1ncnc([NH])n1
InChIInChI=1S/C4H5N4/c1-3-6-2-7-4(5)8-3/h2,5H,1H3
InChIKeyWMHORAPXBBRREE-UHFFFAOYSA-N
MW109.11 g/mol
LogP0.09
Rot. Bonds

About CID 59944332

CID 59944332 (PubChem CID 59944332) has the molecular formula C4H5N4 and a molecular weight of 109.11 g/mol.

Molecular Properties

Compound NameCID 59944332
PubChem CID59944332
Molecular FormulaC4H5N4
Molecular Weight109.11 g/mol
Exact Mass109.05
IUPAC Name—
SMILESCc1ncnc([NH])n1
InChIInChI=1S/C4H5N4/c1-3-6-2-7-4(5)8-3/h2,5H,1H3
InChIKeyWMHORAPXBBRREE-UHFFFAOYSA-N
XLogP0.09
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.11
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 59944332?
The IUPAC name of CID 59944332 (CID 59944332) is not available.
What is the SMILES notation for CID 59944332?
The canonical SMILES for CID 59944332 is Cc1ncnc([NH])n1.
What is the InChIKey of CID 59944332?
The InChIKey is WMHORAPXBBRREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N4/c1-3-6-2-7-4(5)8-3/h2,5H,1H3.
What are the key properties of CID 59944332?
CID 59944332 has a molecular weight of 109.11 g/mol, XLogP of 0.09, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59944332 is sourced from PubChem (CID 59944332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).