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

C20H33N5O2 — CID 70753206

IUPAC9-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCn1cnnc1CN1CCC2(CCC(=O)N(C3CCC(O)CC3)C2)CC1
InChIInChI=1S/C20H33N5O2/c1-2-24-15-21-22-18(24)13-23-11-9-20(10-12-23)8-7-19(27)25(14-20)16-3-5-17(26)6-4-16/h15-17,26H,2-14H2,1H3
InChIKeyNZNQOZJYMPWFIV-UHFFFAOYSA-N
MW375.52 g/mol
LogP1.81
Rot. Bonds4

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

9-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70753206) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 9-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70753206
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC Name9-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCn1cnnc1CN1CCC2(CCC(=O)N(C3CCC(O)CC3)C2)CC1
InChIInChI=1S/C20H33N5O2/c1-2-24-15-21-22-18(24)13-23-11-9-20(10-12-23)8-7-19(27)25(14-20)16-3-5-17(26)6-4-16/h15-17,26H,2-14H2,1H3
InChIKeyNZNQOZJYMPWFIV-UHFFFAOYSA-N
XLogP1.81
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

2-(4-hydroxycyclohexyl)-9-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70735202
9-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70718836
2-cyclopentyl-9-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70717194
2-cyclopropyl-9-(1,2,4-oxadiazol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70748574
2-cyclopentyl-9-(1,2,4-oxadiazol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70730295
2-cyclopentyl-9-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70733482
9-[[3-(2-aminoethyl)phenyl]methyl]-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one
CID 70717744
9-(1H-imidazol-5-ylmethyl)-2-[(3S)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97281170
2-cyclopentyl-9-[(5-fluoro-2-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70716601
6-[(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1H-pyrimidine-2,4-dione
CID 70749258
2-cyclopropyl-9-[2-(3-ethoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70714080
2-cyclopropyl-9-(2-methylpyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72900797

Frequently Asked Questions

What is the IUPAC name of 9-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70753206) is 9-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one is CCn1cnnc1CN1CCC2(CCC(=O)N(C3CCC(O)CC3)C2)CC1.
What is the InChIKey of 9-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is NZNQOZJYMPWFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-2-24-15-21-22-18(24)13-23-11-9-20(10-12-23)8-7-19(27)25(14-20)16-3-5-17(26)6-4-16/h15-17,26H,2-14H2,1H3.
What are the key properties of 9-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 375.52 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70753206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).