CID 136699059

C13H14N5O2 — CID 136699059

IUPAC—
SMILESCN(C)[C]1Nc2c(c(N)nn2-c2ccccc2)C(=O)O1
InChIInChI=1S/C13H14N5O2/c1-17(2)13-15-11-9(12(19)20-13)10(14)16-18(11)8-6-4-3-5-7-8/h3-7,15H,1-2H3,(H2,14,16)
InChIKeyKBDIJRQLRSFIQC-UHFFFAOYSA-N
MW272.29 g/mol
LogP1.05
Rot. Bonds2

About CID 136699059

CID 136699059 (PubChem CID 136699059) has the molecular formula C13H14N5O2 and a molecular weight of 272.29 g/mol.

Molecular Properties

Compound NameCID 136699059
PubChem CID136699059
Molecular FormulaC13H14N5O2
Molecular Weight272.29 g/mol
Exact Mass272.11
IUPAC Name—
SMILESCN(C)[C]1Nc2c(c(N)nn2-c2ccccc2)C(=O)O1
InChIInChI=1S/C13H14N5O2/c1-17(2)13-15-11-9(12(19)20-13)10(14)16-18(11)8-6-4-3-5-7-8/h3-7,15H,1-2H3,(H2,14,16)
InChIKeyKBDIJRQLRSFIQC-UHFFFAOYSA-N
XLogP1.05
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of CID 136699059?
The IUPAC name of CID 136699059 (CID 136699059) is not available.
What is the SMILES notation for CID 136699059?
The canonical SMILES for CID 136699059 is CN(C)[C]1Nc2c(c(N)nn2-c2ccccc2)C(=O)O1.
What is the InChIKey of CID 136699059?
The InChIKey is KBDIJRQLRSFIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N5O2/c1-17(2)13-15-11-9(12(19)20-13)10(14)16-18(11)8-6-4-3-5-7-8/h3-7,15H,1-2H3,(H2,14,16).
What are the key properties of CID 136699059?
CID 136699059 has a molecular weight of 272.29 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136699059 is sourced from PubChem (CID 136699059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).