4-[(1-methylindol-3-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine

C19H25N5O — CID 166305341

IUPAC4-[(1-methylindol-3-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
SMILESCC(C)c1n[nH]c(C2CN(Cc3cn(C)c4ccccc34)CCO2)n1
InChIInChI=1S/C19H25N5O/c1-13(2)18-20-19(22-21-18)17-12-24(8-9-25-17)11-14-10-23(3)16-7-5-4-6-15(14)16/h4-7,10,13,17H,8-9,11-12H2,1-3H3,(H,20,21,22)
InChIKeyMJXDGWRGLMBUEE-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.99
Rot. Bonds4

About 4-[(1-methylindol-3-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine

4-[(1-methylindol-3-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine (PubChem CID 166305341) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-[(1-methylindol-3-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine.

Molecular Properties

Compound Name4-[(1-methylindol-3-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
PubChem CID166305341
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name4-[(1-methylindol-3-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
SMILESCC(C)c1n[nH]c(C2CN(Cc3cn(C)c4ccccc34)CCO2)n1
InChIInChI=1S/C19H25N5O/c1-13(2)18-20-19(22-21-18)17-12-24(8-9-25-17)11-14-10-23(3)16-7-5-4-6-15(14)16/h4-7,10,13,17H,8-9,11-12H2,1-3H3,(H,20,21,22)
InChIKeyMJXDGWRGLMBUEE-UHFFFAOYSA-N
XLogP2.99
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
CID 71928079
(2R)-4-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
CID 96512374
(2R)-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
CID 96512363
(2S)-4-[2-[(S)-phenylsulfinyl]ethyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
CID 98775051
1,3-dimethyl-6-[[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methyl]pyrimidine-2,4-dione
CID 96512438
4,6-dimethyl-N-[6-[4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine
CID 127249190
1-[2-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethyl]pyrazole-4-carbonitrile
CID 96512367
4-[(1-methylindol-3-yl)methyl]morpholine
CID 15496284
4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
CID 71872308
2-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-N-pyridin-3-ylacetamide
CID 96510603
4-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
CID 155948624
2-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-N-pyridin-4-ylacetamide
CID 96510622

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylindol-3-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine?
The IUPAC name of 4-[(1-methylindol-3-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine (CID 166305341) is 4-[(1-methylindol-3-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine.
What is the SMILES notation for 4-[(1-methylindol-3-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine?
The canonical SMILES for 4-[(1-methylindol-3-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine is CC(C)c1n[nH]c(C2CN(Cc3cn(C)c4ccccc34)CCO2)n1.
What is the InChIKey of 4-[(1-methylindol-3-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine?
The InChIKey is MJXDGWRGLMBUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-13(2)18-20-19(22-21-18)17-12-24(8-9-25-17)11-14-10-23(3)16-7-5-4-6-15(14)16/h4-7,10,13,17H,8-9,11-12H2,1-3H3,(H,20,21,22).
What are the key properties of 4-[(1-methylindol-3-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine?
4-[(1-methylindol-3-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine has a molecular weight of 339.44 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylindol-3-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine is sourced from PubChem (CID 166305341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).