[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone

C16H19N7O2 — CID 97018940

IUPAC[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
SMILESCC(C)c1n[nH]c([C@@H]2CN(C(=O)c3ccc4nncn4c3)CCO2)n1
InChIInChI=1S/C16H19N7O2/c1-10(2)14-18-15(21-20-14)12-8-22(5-6-25-12)16(24)11-3-4-13-19-17-9-23(13)7-11/h3-4,7,9-10,12H,5-6,8H2,1-2H3,(H,18,20,21)/t12-/m0/s1
InChIKeyGSCNTBRUPIGFAS-LBPRGKRZSA-N
MW341.38 g/mol
LogP1.18
Rot. Bonds3

About [(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone

[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone (PubChem CID 97018940) has the molecular formula C16H19N7O2 and a molecular weight of 341.38 g/mol. Its IUPAC name is [(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
PubChem CID97018940
Molecular FormulaC16H19N7O2
Molecular Weight341.38 g/mol
Exact Mass341.16
IUPAC Name[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
SMILESCC(C)c1n[nH]c([C@@H]2CN(C(=O)c3ccc4nncn4c3)CCO2)n1
InChIInChI=1S/C16H19N7O2/c1-10(2)14-18-15(21-20-14)12-8-22(5-6-25-12)16(24)11-3-4-13-19-17-9-23(13)7-11/h3-4,7,9-10,12H,5-6,8H2,1-2H3,(H,18,20,21)/t12-/m0/s1
InChIKeyGSCNTBRUPIGFAS-LBPRGKRZSA-N
XLogP1.18
TPSA101.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-dihydro-2-benzofuran-5-yl-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 71872812
[2-(dimethylamino)-4-pyridinyl]-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 96511701
[6-(dimethylamino)pyridazin-3-yl]-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 96511678
imidazo[1,2-a]pyrazin-8-yl-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 96512697
(2,5-dimethylthiophen-3-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 71928746
(2-methyl-1H-imidazol-5-yl)-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 96512691
(2S)-2-imidazol-1-yl-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propan-1-one
CID 96511763
(2R)-2-imidazol-1-yl-1-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propan-1-one
CID 96511760
(5-ethyl-1,3-oxazol-4-yl)-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 96511796
2-(1-propan-2-ylpyrazol-3-yl)-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanone
CID 96512700
2-[(2R)-oxolan-2-yl]-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanone
CID 96511705
[(3R)-2,3-dihydro-1-benzofuran-3-yl]-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 96511664

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone?
The IUPAC name of [(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone (CID 97018940) is [(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone.
What is the SMILES notation for [(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone?
The canonical SMILES for [(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone is CC(C)c1n[nH]c([C@@H]2CN(C(=O)c3ccc4nncn4c3)CCO2)n1.
What is the InChIKey of [(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone?
The InChIKey is GSCNTBRUPIGFAS-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19N7O2/c1-10(2)14-18-15(21-20-14)12-8-22(5-6-25-12)16(24)11-3-4-13-19-17-9-23(13)7-11/h3-4,7,9-10,12H,5-6,8H2,1-2H3,(H,18,20,21)/t12-/m0/s1.
What are the key properties of [(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone?
[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone has a molecular weight of 341.38 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone is sourced from PubChem (CID 97018940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).