CID 59939310

C12H15N3 — CID 59939310

IUPAC—
SMILES[CH]CCN1CCC=C(c2ncccn2)C1
InChIInChI=1S/C12H15N3/c1-2-8-15-9-3-5-11(10-15)12-13-6-4-7-14-12/h1,4-7H,2-3,8-10H2
InChIKeyWAWPJXUEHPJPKS-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.67
Rot. Bonds3

About CID 59939310

CID 59939310 (PubChem CID 59939310) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol.

Molecular Properties

Compound NameCID 59939310
PubChem CID59939310
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name—
SMILES[CH]CCN1CCC=C(c2ncccn2)C1
InChIInChI=1S/C12H15N3/c1-2-8-15-9-3-5-11(10-15)12-13-6-4-7-14-12/h1,4-7H,2-3,8-10H2
InChIKeyWAWPJXUEHPJPKS-UHFFFAOYSA-N
XLogP1.67
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 59939310?
The IUPAC name of CID 59939310 (CID 59939310) is not available.
What is the SMILES notation for CID 59939310?
The canonical SMILES for CID 59939310 is [CH]CCN1CCC=C(c2ncccn2)C1.
What is the InChIKey of CID 59939310?
The InChIKey is WAWPJXUEHPJPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-2-8-15-9-3-5-11(10-15)12-13-6-4-7-14-12/h1,4-7H,2-3,8-10H2.
What are the key properties of CID 59939310?
CID 59939310 has a molecular weight of 201.27 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59939310 is sourced from PubChem (CID 59939310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).