2-(1-methyl-5-oxo-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-4-yl)acetonitrile

C15H20N6O — CID 97495759

IUPAC2-(1-methyl-5-oxo-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-4-yl)acetonitrile
SMILESCN1CCN(CC#N)C(=O)C12CCN(c1cnccn1)CC2
InChIInChI=1S/C15H20N6O/c1-19-10-11-21(9-4-16)14(22)15(19)2-7-20(8-3-15)13-12-17-5-6-18-13/h5-6,12H,2-3,7-11H2,1H3
InChIKeyOVRPXCDTPSLBHP-UHFFFAOYSA-N
MW300.37 g/mol
LogP0.11
Rot. Bonds2

About 2-(1-methyl-5-oxo-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-4-yl)acetonitrile

2-(1-methyl-5-oxo-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-4-yl)acetonitrile (PubChem CID 97495759) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 2-(1-methyl-5-oxo-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(1-methyl-5-oxo-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-4-yl)acetonitrile
PubChem CID97495759
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name2-(1-methyl-5-oxo-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-4-yl)acetonitrile
SMILESCN1CCN(CC#N)C(=O)C12CCN(c1cnccn1)CC2
InChIInChI=1S/C15H20N6O/c1-19-10-11-21(9-4-16)14(22)15(19)2-7-20(8-3-15)13-12-17-5-6-18-13/h5-6,12H,2-3,7-11H2,1H3
InChIKeyOVRPXCDTPSLBHP-UHFFFAOYSA-N
XLogP0.11
TPSA76.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-5-oxo-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-4-yl)acetonitrile?
The IUPAC name of 2-(1-methyl-5-oxo-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-4-yl)acetonitrile (CID 97495759) is 2-(1-methyl-5-oxo-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-4-yl)acetonitrile.
What is the SMILES notation for 2-(1-methyl-5-oxo-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-4-yl)acetonitrile?
The canonical SMILES for 2-(1-methyl-5-oxo-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-4-yl)acetonitrile is CN1CCN(CC#N)C(=O)C12CCN(c1cnccn1)CC2.
What is the InChIKey of 2-(1-methyl-5-oxo-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-4-yl)acetonitrile?
The InChIKey is OVRPXCDTPSLBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-19-10-11-21(9-4-16)14(22)15(19)2-7-20(8-3-15)13-12-17-5-6-18-13/h5-6,12H,2-3,7-11H2,1H3.
What are the key properties of 2-(1-methyl-5-oxo-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-4-yl)acetonitrile?
2-(1-methyl-5-oxo-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-4-yl)acetonitrile has a molecular weight of 300.37 g/mol, XLogP of 0.11, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-5-oxo-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-4-yl)acetonitrile is sourced from PubChem (CID 97495759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).