(3S)-N-(1H-indol-6-yl)-3-(1H-1,2,4-triazol-5-yl)morpholine-4-carboxamide

C15H16N6O2 — CID 124883687

IUPAC(3S)-N-(1H-indol-6-yl)-3-(1H-1,2,4-triazol-5-yl)morpholine-4-carboxamide
SMILESO=C(Nc1ccc2cc[nH]c2c1)N1CCOC[C@@H]1c1ncn[nH]1
InChIInChI=1S/C15H16N6O2/c22-15(19-11-2-1-10-3-4-16-12(10)7-11)21-5-6-23-8-13(21)14-17-9-18-20-14/h1-4,7,9,13,16H,5-6,8H2,(H,19,22)(H,17,18,20)/t13-/m1/s1
InChIKeyKOYKABXDWQQHNJ-CYBMUJFWSA-N
MW312.33 g/mol
LogP1.89
Rot. Bonds2

About (3S)-N-(1H-indol-6-yl)-3-(1H-1,2,4-triazol-5-yl)morpholine-4-carboxamide

(3S)-N-(1H-indol-6-yl)-3-(1H-1,2,4-triazol-5-yl)morpholine-4-carboxamide (PubChem CID 124883687) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is (3S)-N-(1H-indol-6-yl)-3-(1H-1,2,4-triazol-5-yl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(3S)-N-(1H-indol-6-yl)-3-(1H-1,2,4-triazol-5-yl)morpholine-4-carboxamide
PubChem CID124883687
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC Name(3S)-N-(1H-indol-6-yl)-3-(1H-1,2,4-triazol-5-yl)morpholine-4-carboxamide
SMILESO=C(Nc1ccc2cc[nH]c2c1)N1CCOC[C@@H]1c1ncn[nH]1
InChIInChI=1S/C15H16N6O2/c22-15(19-11-2-1-10-3-4-16-12(10)7-11)21-5-6-23-8-13(21)14-17-9-18-20-14/h1-4,7,9,13,16H,5-6,8H2,(H,19,22)(H,17,18,20)/t13-/m1/s1
InChIKeyKOYKABXDWQQHNJ-CYBMUJFWSA-N
XLogP1.89
TPSA98.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3S)-N-(1H-indol-6-yl)-3-(1H-1,2,4-triazol-5-yl)morpholine-4-carboxamide with MolForge

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Related Compounds

(3R)-N-(1H-indol-6-yl)-3-(1H-1,2,4-triazol-5-yl)morpholine-4-carboxamide
CID 124883691
(3R)-N-(6-pyrazol-1-yl-3-pyridinyl)-3-(1H-1,2,4-triazol-5-yl)morpholine-4-carboxamide
CID 125142647
(3R)-N-(6-butoxy-3-pyridinyl)-3-(1H-1,2,4-triazol-5-yl)morpholine-4-carboxamide
CID 100648871
(2S)-2-(1-ethylimidazol-2-yl)-N-(1H-indol-6-yl)piperidine-1-carboxamide
CID 124890719
(3S)-3-(1H-1,2,4-triazol-5-yl)-N-[(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]morpholine-4-carboxamide
CID 124883853
N-(4-methylphenyl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 75397898
(3-benzylphenyl)-[3-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 166237147
N-cyclopropyl-4-methyl-3-[3-(1H-1,2,4-triazol-5-yl)morpholine-4-carbonyl]benzenesulfonamide
CID 126798054
1H-indol-6-yl-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129474082
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-fluorophenyl)morpholine-4-carboxamide
CID 75470343
4-(2,5-dimethylthiophen-3-yl)-1-[(3S)-3-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]butan-1-one
CID 124881132
[3-(hydroxymethyl)morpholin-4-yl]-(1H-indol-6-yl)methanone
CID 112531994

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(1H-indol-6-yl)-3-(1H-1,2,4-triazol-5-yl)morpholine-4-carboxamide?
The IUPAC name of (3S)-N-(1H-indol-6-yl)-3-(1H-1,2,4-triazol-5-yl)morpholine-4-carboxamide (CID 124883687) is (3S)-N-(1H-indol-6-yl)-3-(1H-1,2,4-triazol-5-yl)morpholine-4-carboxamide.
What is the SMILES notation for (3S)-N-(1H-indol-6-yl)-3-(1H-1,2,4-triazol-5-yl)morpholine-4-carboxamide?
The canonical SMILES for (3S)-N-(1H-indol-6-yl)-3-(1H-1,2,4-triazol-5-yl)morpholine-4-carboxamide is O=C(Nc1ccc2cc[nH]c2c1)N1CCOC[C@@H]1c1ncn[nH]1.
What is the InChIKey of (3S)-N-(1H-indol-6-yl)-3-(1H-1,2,4-triazol-5-yl)morpholine-4-carboxamide?
The InChIKey is KOYKABXDWQQHNJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H16N6O2/c22-15(19-11-2-1-10-3-4-16-12(10)7-11)21-5-6-23-8-13(21)14-17-9-18-20-14/h1-4,7,9,13,16H,5-6,8H2,(H,19,22)(H,17,18,20)/t13-/m1/s1.
What are the key properties of (3S)-N-(1H-indol-6-yl)-3-(1H-1,2,4-triazol-5-yl)morpholine-4-carboxamide?
(3S)-N-(1H-indol-6-yl)-3-(1H-1,2,4-triazol-5-yl)morpholine-4-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 1.89, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(1H-indol-6-yl)-3-(1H-1,2,4-triazol-5-yl)morpholine-4-carboxamide is sourced from PubChem (CID 124883687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).