4-(4-methyl-1,2,4-triazol-3-yl)-2-(oxan-4-yl)-8-propan-2-yl-2,8-diazaspiro[4.5]decane

C19H33N5O — CID 146067718

IUPAC4-(4-methyl-1,2,4-triazol-3-yl)-2-(oxan-4-yl)-8-propan-2-yl-2,8-diazaspiro[4.5]decane
SMILESCC(C)N1CCC2(CC1)CN(C1CCOCC1)CC2c1nncn1C
InChIInChI=1S/C19H33N5O/c1-15(2)23-8-6-19(7-9-23)13-24(16-4-10-25-11-5-16)12-17(19)18-21-20-14-22(18)3/h14-17H,4-13H2,1-3H3
InChIKeyRTLITSBWLOZULT-UHFFFAOYSA-N
MW347.51 g/mol
LogP1.88
Rot. Bonds3

About 4-(4-methyl-1,2,4-triazol-3-yl)-2-(oxan-4-yl)-8-propan-2-yl-2,8-diazaspiro[4.5]decane

4-(4-methyl-1,2,4-triazol-3-yl)-2-(oxan-4-yl)-8-propan-2-yl-2,8-diazaspiro[4.5]decane (PubChem CID 146067718) has the molecular formula C19H33N5O and a molecular weight of 347.51 g/mol. Its IUPAC name is 4-(4-methyl-1,2,4-triazol-3-yl)-2-(oxan-4-yl)-8-propan-2-yl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name4-(4-methyl-1,2,4-triazol-3-yl)-2-(oxan-4-yl)-8-propan-2-yl-2,8-diazaspiro[4.5]decane
PubChem CID146067718
Molecular FormulaC19H33N5O
Molecular Weight347.51 g/mol
Exact Mass347.27
IUPAC Name4-(4-methyl-1,2,4-triazol-3-yl)-2-(oxan-4-yl)-8-propan-2-yl-2,8-diazaspiro[4.5]decane
SMILESCC(C)N1CCC2(CC1)CN(C1CCOCC1)CC2c1nncn1C
InChIInChI=1S/C19H33N5O/c1-15(2)23-8-6-19(7-9-23)13-24(16-4-10-25-11-5-16)12-17(19)18-21-20-14-22(18)3/h14-17H,4-13H2,1-3H3
InChIKeyRTLITSBWLOZULT-UHFFFAOYSA-N
XLogP1.88
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(4-methyl-1,2,4-triazol-3-yl)-2-(oxan-4-yl)-8-propan-2-yl-2,8-diazaspiro[4.5]decane 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

4-(4-methyl-1,2,4-triazol-3-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 172909005
8-ethylsulfonyl-4-(4-methyl-1,2,4-triazol-3-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 146069080
1-[4-(4-methyl-1,2,4-triazol-3-yl)-8-propan-2-yl-2,8-diazaspiro[4.5]decan-2-yl]-2-phenoxyethanone
CID 146071677
2-(4-methoxyphenoxy)-1-[4-(4-methyl-1,2,4-triazol-3-yl)-8-propan-2-yl-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 146067712
8-(1H-indol-6-ylmethyl)-4-(4-methyl-1,2,4-triazol-3-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 146069068
1-(oxocan-4-yl)-4-propan-2-ylpiperazine
CID 146561161
1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 72896818
3-(4-fluorophenyl)-5-[(4S,5S)-7-methyl-2-(oxan-4-yl)-2,7-diazaspiro[4.4]nonan-4-yl]-1,2,4-oxadiazole
CID 146066251
1-cyclohexyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 95730649
4-(1-propan-2-ylazetidin-3-yl)morpholine
CID 58547003
[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-thiophen-2-ylmethanone
CID 146071647
cyclopropyl-[8-[(5-methylfuran-2-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-2-yl]methanone
CID 146069092

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,2,4-triazol-3-yl)-2-(oxan-4-yl)-8-propan-2-yl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 4-(4-methyl-1,2,4-triazol-3-yl)-2-(oxan-4-yl)-8-propan-2-yl-2,8-diazaspiro[4.5]decane (CID 146067718) is 4-(4-methyl-1,2,4-triazol-3-yl)-2-(oxan-4-yl)-8-propan-2-yl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 4-(4-methyl-1,2,4-triazol-3-yl)-2-(oxan-4-yl)-8-propan-2-yl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 4-(4-methyl-1,2,4-triazol-3-yl)-2-(oxan-4-yl)-8-propan-2-yl-2,8-diazaspiro[4.5]decane is CC(C)N1CCC2(CC1)CN(C1CCOCC1)CC2c1nncn1C.
What is the InChIKey of 4-(4-methyl-1,2,4-triazol-3-yl)-2-(oxan-4-yl)-8-propan-2-yl-2,8-diazaspiro[4.5]decane?
The InChIKey is RTLITSBWLOZULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O/c1-15(2)23-8-6-19(7-9-23)13-24(16-4-10-25-11-5-16)12-17(19)18-21-20-14-22(18)3/h14-17H,4-13H2,1-3H3.
What are the key properties of 4-(4-methyl-1,2,4-triazol-3-yl)-2-(oxan-4-yl)-8-propan-2-yl-2,8-diazaspiro[4.5]decane?
4-(4-methyl-1,2,4-triazol-3-yl)-2-(oxan-4-yl)-8-propan-2-yl-2,8-diazaspiro[4.5]decane has a molecular weight of 347.51 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,2,4-triazol-3-yl)-2-(oxan-4-yl)-8-propan-2-yl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 146067718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).