(6S)-8-(5-cyclobutyl-4-ethyl-1,2,4-triazol-3-yl)-6-methyl-5-oxa-8-azaspiro[3.5]nonane

C16H26N4O — CID 164633704

IUPAC(6S)-8-(5-cyclobutyl-4-ethyl-1,2,4-triazol-3-yl)-6-methyl-5-oxa-8-azaspiro[3.5]nonane
SMILESCCn1c(C2CCC2)nnc1N1C[C@H](C)OC2(CCC2)C1
InChIInChI=1S/C16H26N4O/c1-3-20-14(13-6-4-7-13)17-18-15(20)19-10-12(2)21-16(11-19)8-5-9-16/h12-13H,3-11H2,1-2H3/t12-/m0/s1
InChIKeyIPCQXPSNNIZIMS-LBPRGKRZSA-N
MW290.41 g/mol
LogP2.71
Rot. Bonds3

About (6S)-8-(5-cyclobutyl-4-ethyl-1,2,4-triazol-3-yl)-6-methyl-5-oxa-8-azaspiro[3.5]nonane

(6S)-8-(5-cyclobutyl-4-ethyl-1,2,4-triazol-3-yl)-6-methyl-5-oxa-8-azaspiro[3.5]nonane (PubChem CID 164633704) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is (6S)-8-(5-cyclobutyl-4-ethyl-1,2,4-triazol-3-yl)-6-methyl-5-oxa-8-azaspiro[3.5]nonane.

Molecular Properties

Compound Name(6S)-8-(5-cyclobutyl-4-ethyl-1,2,4-triazol-3-yl)-6-methyl-5-oxa-8-azaspiro[3.5]nonane
PubChem CID164633704
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name(6S)-8-(5-cyclobutyl-4-ethyl-1,2,4-triazol-3-yl)-6-methyl-5-oxa-8-azaspiro[3.5]nonane
SMILESCCn1c(C2CCC2)nnc1N1C[C@H](C)OC2(CCC2)C1
InChIInChI=1S/C16H26N4O/c1-3-20-14(13-6-4-7-13)17-18-15(20)19-10-12(2)21-16(11-19)8-5-9-16/h12-13H,3-11H2,1-2H3/t12-/m0/s1
InChIKeyIPCQXPSNNIZIMS-LBPRGKRZSA-N
XLogP2.71
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6S)-8-(5-cyclobutyl-4-ethyl-1,2,4-triazol-3-yl)-6-methyl-5-oxa-8-azaspiro[3.5]nonane with MolForge

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Launch Full Analysis

Related Compounds

2-Cyclopropyl-4-[5-cyclopropyl-4-(oxolan-3-ylmethyl)-1,2,4-triazol-3-yl]-6-methylmorpholine
CID 128304338
N,N-dimethyl-1-[4-methyl-5-[(2R)-2-propan-2-ylmorpholin-4-yl]-1,2,4-triazol-3-yl]methanamine
CID 164636521
4-[4-Ethyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2-propan-2-ylmorpholine
CID 136549285
4-[4-Methyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2-propan-2-ylmorpholine
CID 138001822
4-[4-(2-Methylpropyl)-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2-propan-2-ylmorpholine
CID 138001899
1-[5-Cyclobutyl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3,3-difluoropiperidine
CID 146093129
4-(5-Cyclobutyl-4-ethyl-1,2,4-triazol-3-yl)-2-(difluoromethyl)-2-methylmorpholine
CID 154744348
4-({5-[1-(cyclobutylmethyl)piperidin-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)morpholine
CID 70742274
4-({5-[1-(cyclobutylmethyl)piperidin-3-yl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)morpholine
CID 70744289
1-(2-Butoxyethyl)-4-(4-ethyl-1,2,4-triazol-3-yl)piperidine
CID 91642346
[cis-3-(5-{[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)cyclobutyl]amine
CID 91773711
trans-3-[5-{[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl}-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]cyclobutanamine
CID 91775653

Frequently Asked Questions

What is the IUPAC name of (6S)-8-(5-cyclobutyl-4-ethyl-1,2,4-triazol-3-yl)-6-methyl-5-oxa-8-azaspiro[3.5]nonane?
The IUPAC name of (6S)-8-(5-cyclobutyl-4-ethyl-1,2,4-triazol-3-yl)-6-methyl-5-oxa-8-azaspiro[3.5]nonane (CID 164633704) is (6S)-8-(5-cyclobutyl-4-ethyl-1,2,4-triazol-3-yl)-6-methyl-5-oxa-8-azaspiro[3.5]nonane.
What is the SMILES notation for (6S)-8-(5-cyclobutyl-4-ethyl-1,2,4-triazol-3-yl)-6-methyl-5-oxa-8-azaspiro[3.5]nonane?
The canonical SMILES for (6S)-8-(5-cyclobutyl-4-ethyl-1,2,4-triazol-3-yl)-6-methyl-5-oxa-8-azaspiro[3.5]nonane is CCn1c(C2CCC2)nnc1N1C[C@H](C)OC2(CCC2)C1.
What is the InChIKey of (6S)-8-(5-cyclobutyl-4-ethyl-1,2,4-triazol-3-yl)-6-methyl-5-oxa-8-azaspiro[3.5]nonane?
The InChIKey is IPCQXPSNNIZIMS-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-20-14(13-6-4-7-13)17-18-15(20)19-10-12(2)21-16(11-19)8-5-9-16/h12-13H,3-11H2,1-2H3/t12-/m0/s1.
What are the key properties of (6S)-8-(5-cyclobutyl-4-ethyl-1,2,4-triazol-3-yl)-6-methyl-5-oxa-8-azaspiro[3.5]nonane?
(6S)-8-(5-cyclobutyl-4-ethyl-1,2,4-triazol-3-yl)-6-methyl-5-oxa-8-azaspiro[3.5]nonane has a molecular weight of 290.41 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-8-(5-cyclobutyl-4-ethyl-1,2,4-triazol-3-yl)-6-methyl-5-oxa-8-azaspiro[3.5]nonane is sourced from PubChem (CID 164633704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).