CID 25197322

C9H13N3O — CID 25197322

IUPAC—
SMILESCN1[C]N(C(=O)N2CCCC2)C=C1
InChIInChI=1S/C9H13N3O/c1-10-6-7-12(8-10)9(13)11-4-2-3-5-11/h6-7H,2-5H2,1H3
InChIKeyUKUHURDXYCWASI-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.92
Rot. Bonds

About CID 25197322

CID 25197322 (PubChem CID 25197322) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol.

Molecular Properties

Compound NameCID 25197322
PubChem CID25197322
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name—
SMILESCN1[C]N(C(=O)N2CCCC2)C=C1
InChIInChI=1S/C9H13N3O/c1-10-6-7-12(8-10)9(13)11-4-2-3-5-11/h6-7H,2-5H2,1H3
InChIKeyUKUHURDXYCWASI-UHFFFAOYSA-N
XLogP0.92
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 25197322?
The IUPAC name of CID 25197322 (CID 25197322) is not available.
What is the SMILES notation for CID 25197322?
The canonical SMILES for CID 25197322 is CN1[C]N(C(=O)N2CCCC2)C=C1.
What is the InChIKey of CID 25197322?
The InChIKey is UKUHURDXYCWASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-10-6-7-12(8-10)9(13)11-4-2-3-5-11/h6-7H,2-5H2,1H3.
What are the key properties of CID 25197322?
CID 25197322 has a molecular weight of 179.22 g/mol, XLogP of 0.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 25197322 is sourced from PubChem (CID 25197322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).