2-ethyl-9-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

C17H29N5O — CID 70773141

IUPAC2-ethyl-9-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCC1=O)CCN(Cc1nncn1C(C)C)CC2
InChIInChI=1S/C17H29N5O/c1-4-21-12-17(6-5-16(21)23)7-9-20(10-8-17)11-15-19-18-13-22(15)14(2)3/h13-14H,4-12H2,1-3H3
InChIKeyUEBLURWCVSVQRN-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.08
Rot. Bonds4

About 2-ethyl-9-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

2-ethyl-9-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70773141) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-ethyl-9-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-ethyl-9-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70773141
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name2-ethyl-9-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCC1=O)CCN(Cc1nncn1C(C)C)CC2
InChIInChI=1S/C17H29N5O/c1-4-21-12-17(6-5-16(21)23)7-9-20(10-8-17)11-15-19-18-13-22(15)14(2)3/h13-14H,4-12H2,1-3H3
InChIKeyUEBLURWCVSVQRN-UHFFFAOYSA-N
XLogP2.08
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-9-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one with MolForge

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Launch Full Analysis

Related Compounds

1-(cyclohexylmethyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 45224554
N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N,1'-dimethyl-1,4'-bipiperidine-3-carboxamide
CID 56878147
N,1'-dimethyl-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]-1,4'-bipiperidine-3-carboxamide
CID 56879690
2-ethyl-9-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70705092
N,4-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-(2-oxopiperidin-1-yl)pentanamide
CID 71972493
7-Cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72858894
1-cyclopentyl-N-methyl-6-oxo-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]-3-piperidinecarboxamide
CID 72860922
7-cyclohexyl-2-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72861700
7-cyclohexyl-2-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72895899
7-isopropyl-2-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72924315
8-[2-(3-methyl-4H-1,2,4-triazol-4-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione
CID 72924859
Cyclopentyl-[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 53192598

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-9-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-ethyl-9-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 70773141) is 2-ethyl-9-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-ethyl-9-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-ethyl-9-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is CCN1CC2(CCC1=O)CCN(Cc1nncn1C(C)C)CC2.
What is the InChIKey of 2-ethyl-9-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is UEBLURWCVSVQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-4-21-12-17(6-5-16(21)23)7-9-20(10-8-17)11-15-19-18-13-22(15)14(2)3/h13-14H,4-12H2,1-3H3.
What are the key properties of 2-ethyl-9-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-ethyl-9-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 319.45 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-9-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70773141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).