9-propan-2-yl-6-prop-2-enyl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decan-10-one

C17H25N5O — CID 131657301

IUPAC9-propan-2-yl-6-prop-2-enyl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decan-10-one
SMILESC=CCN1CCN(C(C)C)C(=O)C12CCN(c1cnccn1)C2
InChIInChI=1S/C17H25N5O/c1-4-8-21-10-11-22(14(2)3)16(23)17(21)5-9-20(13-17)15-12-18-6-7-19-15/h4,6-7,12,14H,1,5,8-11,13H2,2-3H3
InChIKeyTVMKEGXLEPBUHN-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.16
Rot. Bonds4

About 9-propan-2-yl-6-prop-2-enyl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decan-10-one

9-propan-2-yl-6-prop-2-enyl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decan-10-one (PubChem CID 131657301) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 9-propan-2-yl-6-prop-2-enyl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name9-propan-2-yl-6-prop-2-enyl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decan-10-one
PubChem CID131657301
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name9-propan-2-yl-6-prop-2-enyl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decan-10-one
SMILESC=CCN1CCN(C(C)C)C(=O)C12CCN(c1cnccn1)C2
InChIInChI=1S/C17H25N5O/c1-4-8-21-10-11-22(14(2)3)16(23)17(21)5-9-20(13-17)15-12-18-6-7-19-15/h4,6-7,12,14H,1,5,8-11,13H2,2-3H3
InChIKeyTVMKEGXLEPBUHN-UHFFFAOYSA-N
XLogP1.16
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 9-propan-2-yl-6-prop-2-enyl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decan-10-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-Methyl-2-buten-1-yl)-8-(2-pyrazinyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72934265
4-(Fluoromethyl)-1-[1-(pyrazin-2-yl)piperidin-4-yl]pyrrolidin-2-one
CID 126899738
9-Methyl-6-prop-2-enyl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decan-10-one;2,2,2-trifluoroacetic acid
CID 155857632
9-Propan-2-yl-6-prop-2-enyl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decan-10-one;2,2,2-trifluoroacetic acid
CID 155857765
1-Isobutyl-8-(2-pyrazinyl)-3-(3,3,3-trifluoropropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166616731
1-Methyl-9-[(1-methylimidazol-2-yl)methyl]-4-prop-2-enyl-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97495727
9-Methyl-6-prop-2-enyl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decan-10-one
CID 131638576
2-(10-Oxo-9-propan-2-yl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decan-6-yl)acetonitrile
CID 134072975
tert-butyl-[(3S)-2-oxo-1-pyrazin-2-ylpyrrolidin-3-yl]carbamic acid
CID 91391581
(4R)-1-cyclopropyl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 32647797
(4S)-1-cyclopropyl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 32647801
1-[2-(4-Pyrazin-2-ylpiperazin-1-yl)acetyl]pyrrolidin-2-one
CID 35016479

Frequently Asked Questions

What is the IUPAC name of 9-propan-2-yl-6-prop-2-enyl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decan-10-one?
The IUPAC name of 9-propan-2-yl-6-prop-2-enyl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decan-10-one (CID 131657301) is 9-propan-2-yl-6-prop-2-enyl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decan-10-one.
What is the SMILES notation for 9-propan-2-yl-6-prop-2-enyl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decan-10-one?
The canonical SMILES for 9-propan-2-yl-6-prop-2-enyl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decan-10-one is C=CCN1CCN(C(C)C)C(=O)C12CCN(c1cnccn1)C2.
What is the InChIKey of 9-propan-2-yl-6-prop-2-enyl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decan-10-one?
The InChIKey is TVMKEGXLEPBUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-4-8-21-10-11-22(14(2)3)16(23)17(21)5-9-20(13-17)15-12-18-6-7-19-15/h4,6-7,12,14H,1,5,8-11,13H2,2-3H3.
What are the key properties of 9-propan-2-yl-6-prop-2-enyl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decan-10-one?
9-propan-2-yl-6-prop-2-enyl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decan-10-one has a molecular weight of 315.42 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propan-2-yl-6-prop-2-enyl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decan-10-one is sourced from PubChem (CID 131657301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).