(3S)-4'-[(1-tert-butyltriazol-4-yl)methyl]spiro[1,2-dihydroindene-3,2'-morpholine]

C19H26N4O — CID 124623024

IUPAC(3S)-4'-[(1-tert-butyltriazol-4-yl)methyl]spiro[1,2-dihydroindene-3,2'-morpholine]
SMILESCC(C)(C)n1cc(CN2CCO[C@]3(CCc4ccccc43)C2)nn1
InChIInChI=1S/C19H26N4O/c1-18(2,3)23-13-16(20-21-23)12-22-10-11-24-19(14-22)9-8-15-6-4-5-7-17(15)19/h4-7,13H,8-12,14H2,1-3H3/t19-/m1/s1
InChIKeyCDRFFJBYAQGYMZ-LJQANCHMSA-N
MW326.44 g/mol
LogP2.71
Rot. Bonds2

About (3S)-4'-[(1-tert-butyltriazol-4-yl)methyl]spiro[1,2-dihydroindene-3,2'-morpholine]

(3S)-4'-[(1-tert-butyltriazol-4-yl)methyl]spiro[1,2-dihydroindene-3,2'-morpholine] (PubChem CID 124623024) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is (3S)-4'-[(1-tert-butyltriazol-4-yl)methyl]spiro[1,2-dihydroindene-3,2'-morpholine].

Molecular Properties

Compound Name(3S)-4'-[(1-tert-butyltriazol-4-yl)methyl]spiro[1,2-dihydroindene-3,2'-morpholine]
PubChem CID124623024
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name(3S)-4'-[(1-tert-butyltriazol-4-yl)methyl]spiro[1,2-dihydroindene-3,2'-morpholine]
SMILESCC(C)(C)n1cc(CN2CCO[C@]3(CCc4ccccc43)C2)nn1
InChIInChI=1S/C19H26N4O/c1-18(2,3)23-13-16(20-21-23)12-22-10-11-24-19(14-22)9-8-15-6-4-5-7-17(15)19/h4-7,13H,8-12,14H2,1-3H3/t19-/m1/s1
InChIKeyCDRFFJBYAQGYMZ-LJQANCHMSA-N
XLogP2.71
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3S)-4'-[(1-tert-butyltriazol-4-yl)methyl]spiro[1,2-dihydroindene-3,2'-morpholine] with MolForge

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Related Compounds

2-(3-Fluorophenyl)-5,5-dimethyl-4-[(1-methyltriazol-4-yl)methyl]morpholine
CID 126824753
6-[2-(1-Methyltriazol-4-yl)ethyl]-8-[3-(trifluoromethyl)phenyl]-9-oxa-6-azaspiro[4.5]decane
CID 132320455
2-(2,4-Difluorophenyl)-4-[(3-methyltriazol-4-yl)methyl]morpholine
CID 132359621
4-[(3-Ethyltriazol-4-yl)methyl]-2-(4-fluorophenyl)morpholine
CID 132362486
4-[(3-Ethyltriazol-4-yl)methyl]-2-(4-fluoro-3-methylphenyl)morpholine
CID 132362497
2-(2,4-Difluorophenyl)-4-[(3-ethyltriazol-4-yl)methyl]morpholine
CID 132362499
2-(4-Fluorophenyl)-6-methyl-4-[2-(1-methyltriazol-4-yl)ethyl]morpholine
CID 132368750
2-(4-Fluoro-3-methylphenyl)-4-[2-(1-methyltriazol-4-yl)ethyl]morpholine
CID 132368761
4-[(3-Ethyltriazol-4-yl)methyl]-2-(3-fluorophenyl)morpholine
CID 137996220
1-(4-Fluoro-2-methylphenyl)-2-[4-(morpholin-4-ylmethyl)triazol-1-yl]ethanol
CID 138056501
4-(9-ethoxyfluoren-9-yl)-1-[[(2S)-pyrrolidin-2-yl]methyl]triazole
CID 11994219
2-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)triazol-4-yl]propan-2-amine
CID 64242655

Frequently Asked Questions

What is the IUPAC name of (3S)-4'-[(1-tert-butyltriazol-4-yl)methyl]spiro[1,2-dihydroindene-3,2'-morpholine]?
The IUPAC name of (3S)-4'-[(1-tert-butyltriazol-4-yl)methyl]spiro[1,2-dihydroindene-3,2'-morpholine] (CID 124623024) is (3S)-4'-[(1-tert-butyltriazol-4-yl)methyl]spiro[1,2-dihydroindene-3,2'-morpholine].
What is the SMILES notation for (3S)-4'-[(1-tert-butyltriazol-4-yl)methyl]spiro[1,2-dihydroindene-3,2'-morpholine]?
The canonical SMILES for (3S)-4'-[(1-tert-butyltriazol-4-yl)methyl]spiro[1,2-dihydroindene-3,2'-morpholine] is CC(C)(C)n1cc(CN2CCO[C@]3(CCc4ccccc43)C2)nn1.
What is the InChIKey of (3S)-4'-[(1-tert-butyltriazol-4-yl)methyl]spiro[1,2-dihydroindene-3,2'-morpholine]?
The InChIKey is CDRFFJBYAQGYMZ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H26N4O/c1-18(2,3)23-13-16(20-21-23)12-22-10-11-24-19(14-22)9-8-15-6-4-5-7-17(15)19/h4-7,13H,8-12,14H2,1-3H3/t19-/m1/s1.
What are the key properties of (3S)-4'-[(1-tert-butyltriazol-4-yl)methyl]spiro[1,2-dihydroindene-3,2'-morpholine]?
(3S)-4'-[(1-tert-butyltriazol-4-yl)methyl]spiro[1,2-dihydroindene-3,2'-morpholine] has a molecular weight of 326.44 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4'-[(1-tert-butyltriazol-4-yl)methyl]spiro[1,2-dihydroindene-3,2'-morpholine] is sourced from PubChem (CID 124623024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).