CID 58084325

C14H12N5O2 — CID 58084325

IUPAC—
SMILESCOC(=O)c1cnc([NH])c(-c2nc3ccc(C)cc3[nH]2)n1
InChIInChI=1S/C14H12N5O2/c1-7-3-4-8-9(5-7)19-13(18-8)11-12(15)16-6-10(17-11)14(20)21-2/h3-6,15H,1-2H3,(H,18,19)
InChIKeyJAFLSCICDYNQKX-UHFFFAOYSA-N
MW282.28 g/mol
LogP2.03
Rot. Bonds2

About CID 58084325

CID 58084325 (PubChem CID 58084325) has the molecular formula C14H12N5O2 and a molecular weight of 282.28 g/mol.

Molecular Properties

Compound NameCID 58084325
PubChem CID58084325
Molecular FormulaC14H12N5O2
Molecular Weight282.28 g/mol
Exact Mass282.10
IUPAC Name—
SMILESCOC(=O)c1cnc([NH])c(-c2nc3ccc(C)cc3[nH]2)n1
InChIInChI=1S/C14H12N5O2/c1-7-3-4-8-9(5-7)19-13(18-8)11-12(15)16-6-10(17-11)14(20)21-2/h3-6,15H,1-2H3,(H,18,19)
InChIKeyJAFLSCICDYNQKX-UHFFFAOYSA-N
XLogP2.03
TPSA104.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 58084325?
The IUPAC name of CID 58084325 (CID 58084325) is not available.
What is the SMILES notation for CID 58084325?
The canonical SMILES for CID 58084325 is COC(=O)c1cnc([NH])c(-c2nc3ccc(C)cc3[nH]2)n1.
What is the InChIKey of CID 58084325?
The InChIKey is JAFLSCICDYNQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N5O2/c1-7-3-4-8-9(5-7)19-13(18-8)11-12(15)16-6-10(17-11)14(20)21-2/h3-6,15H,1-2H3,(H,18,19).
What are the key properties of CID 58084325?
CID 58084325 has a molecular weight of 282.28 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58084325 is sourced from PubChem (CID 58084325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).