[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-indazol-3-yl)methanone

C16H18N6O2 — CID 128997573

IUPAC[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-indazol-3-yl)methanone
SMILESCCn1cnnc1C1CN(C(=O)c2n[nH]c3ccccc23)CCO1
InChIInChI=1S/C16H18N6O2/c1-2-21-10-17-20-15(21)13-9-22(7-8-24-13)16(23)14-11-5-3-4-6-12(11)18-19-14/h3-6,10,13H,2,7-9H2,1H3,(H,18,19)
InChIKeyMQAQZRLFNYIYME-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.39
Rot. Bonds3

About [2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-indazol-3-yl)methanone

[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-indazol-3-yl)methanone (PubChem CID 128997573) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is [2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-indazol-3-yl)methanone
PubChem CID128997573
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-indazol-3-yl)methanone
SMILESCCn1cnnc1C1CN(C(=O)c2n[nH]c3ccccc23)CCO1
InChIInChI=1S/C16H18N6O2/c1-2-21-10-17-20-15(21)13-9-22(7-8-24-13)16(23)14-11-5-3-4-6-12(11)18-19-14/h3-6,10,13H,2,7-9H2,1H3,(H,18,19)
InChIKeyMQAQZRLFNYIYME-UHFFFAOYSA-N
XLogP1.39
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-isoquinolin-1-ylmethanone
CID 129329703
[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-quinolin-5-ylmethanone
CID 128990609
(2-chloro-3-methylphenyl)-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129333852
[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-indol-6-yl)methanone
CID 129330839
1H-indazol-3-yl-[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone
CID 125012972
[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-indol-7-yl)methanone
CID 129338842
[(2S)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1H-indazol-3-yl)methanone
CID 124950048
1-benzofuran-2-yl-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129006400
2,3-dihydro-1H-inden-4-yl-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 128998279
(5-chlorofuran-2-yl)-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129341204
4-[(2S)-4-(1H-indazole-3-carbonyl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 137106030
[(2S)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-(1H-indazol-3-yl)methanone
CID 124983966

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-indazol-3-yl)methanone?
The IUPAC name of [2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-indazol-3-yl)methanone (CID 128997573) is [2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-indazol-3-yl)methanone.
What is the SMILES notation for [2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-indazol-3-yl)methanone?
The canonical SMILES for [2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-indazol-3-yl)methanone is CCn1cnnc1C1CN(C(=O)c2n[nH]c3ccccc23)CCO1.
What is the InChIKey of [2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-indazol-3-yl)methanone?
The InChIKey is MQAQZRLFNYIYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-2-21-10-17-20-15(21)13-9-22(7-8-24-13)16(23)14-11-5-3-4-6-12(11)18-19-14/h3-6,10,13H,2,7-9H2,1H3,(H,18,19).
What are the key properties of [2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-indazol-3-yl)methanone?
[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-indazol-3-yl)methanone has a molecular weight of 326.36 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-indazol-3-yl)methanone is sourced from PubChem (CID 128997573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).