CID 135996730

C7H8N2O — CID 135996730

IUPAC—
SMILES[CH]c1nc(C)c(C)c(=O)[nH]1
InChIInChI=1S/C7H8N2O/c1-4-5(2)8-6(3)9-7(4)10/h3H,1-2H3,(H,8,9,10)
InChIKeyJTLSVRYSWHVCRA-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.45
Rot. Bonds

About CID 135996730

CID 135996730 (PubChem CID 135996730) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol.

Molecular Properties

Compound NameCID 135996730
PubChem CID135996730
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name—
SMILES[CH]c1nc(C)c(C)c(=O)[nH]1
InChIInChI=1S/C7H8N2O/c1-4-5(2)8-6(3)9-7(4)10/h3H,1-2H3,(H,8,9,10)
InChIKeyJTLSVRYSWHVCRA-UHFFFAOYSA-N
XLogP0.45
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 135996730?
The IUPAC name of CID 135996730 (CID 135996730) is not available.
What is the SMILES notation for CID 135996730?
The canonical SMILES for CID 135996730 is [CH]c1nc(C)c(C)c(=O)[nH]1.
What is the InChIKey of CID 135996730?
The InChIKey is JTLSVRYSWHVCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c1-4-5(2)8-6(3)9-7(4)10/h3H,1-2H3,(H,8,9,10).
What are the key properties of CID 135996730?
CID 135996730 has a molecular weight of 136.15 g/mol, XLogP of 0.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135996730 is sourced from PubChem (CID 135996730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).