CID 86527149

C4H6N5O — CID 86527149

IUPAC—
SMILESNc1nc(N)c(N)c([O])n1
InChIInChI=1S/C4H6N5O/c5-1-2(6)8-4(7)9-3(1)10/h5H2,(H4,6,7,8,9)
InChIKeySAKQYPZKDOQNKO-UHFFFAOYSA-N
MW140.13 g/mol
LogP-0.63
Rot. Bonds

About CID 86527149

CID 86527149 (PubChem CID 86527149) has the molecular formula C4H6N5O and a molecular weight of 140.13 g/mol.

Molecular Properties

Compound NameCID 86527149
PubChem CID86527149
Molecular FormulaC4H6N5O
Molecular Weight140.13 g/mol
Exact Mass140.06
IUPAC Name—
SMILESNc1nc(N)c(N)c([O])n1
InChIInChI=1S/C4H6N5O/c5-1-2(6)8-4(7)9-3(1)10/h5H2,(H4,6,7,8,9)
InChIKeySAKQYPZKDOQNKO-UHFFFAOYSA-N
XLogP-0.63
TPSA123.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.13
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 86527149?
The IUPAC name of CID 86527149 (CID 86527149) is not available.
What is the SMILES notation for CID 86527149?
The canonical SMILES for CID 86527149 is Nc1nc(N)c(N)c([O])n1.
What is the InChIKey of CID 86527149?
The InChIKey is SAKQYPZKDOQNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N5O/c5-1-2(6)8-4(7)9-3(1)10/h5H2,(H4,6,7,8,9).
What are the key properties of CID 86527149?
CID 86527149 has a molecular weight of 140.13 g/mol, XLogP of -0.63, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 86527149 is sourced from PubChem (CID 86527149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).