(8-methylindolizin-2-yl)-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone

C17H19N5O2 — CID 136565165

IUPAC(8-methylindolizin-2-yl)-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
SMILESCc1cccn2cc(C(=O)N3CCOCC3c3ncnn3C)cc12
InChIInChI=1S/C17H19N5O2/c1-12-4-3-5-21-9-13(8-14(12)21)17(23)22-6-7-24-10-15(22)16-18-11-19-20(16)2/h3-5,8-9,11,15H,6-7,10H2,1-2H3
InChIKeyXKJCXRQIVXDNRO-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.59
Rot. Bonds2

About (8-methylindolizin-2-yl)-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone

(8-methylindolizin-2-yl)-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone (PubChem CID 136565165) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is (8-methylindolizin-2-yl)-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(8-methylindolizin-2-yl)-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
PubChem CID136565165
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name(8-methylindolizin-2-yl)-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
SMILESCc1cccn2cc(C(=O)N3CCOCC3c3ncnn3C)cc12
InChIInChI=1S/C17H19N5O2/c1-12-4-3-5-21-9-13(8-14(12)21)17(23)22-6-7-24-10-15(22)16-18-11-19-20(16)2/h3-5,8-9,11,15H,6-7,10H2,1-2H3
InChIKeyXKJCXRQIVXDNRO-UHFFFAOYSA-N
XLogP1.59
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5-bromo-2-methylfuran-3-yl)-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 136548638
(3R)-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-3-(2-methyl-1,2,4-triazol-3-yl)morpholine-4-carboxamide
CID 124854460
[(3S)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholin-4-yl]-pyridin-3-ylmethanone
CID 124740594
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-1-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
CID 126805862
imidazo[1,2-a]pyridin-7-yl-[(3S)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone
CID 99617785
1-(4-fluoro-2-methylphenyl)-2-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanol
CID 154756495
[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-pyrimidin-5-ylmethanone
CID 125017180
(2-methylphenyl)-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone
CID 75471264
(1-methylpyrazol-4-yl)-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
CID 97485259
[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-(2-methylpyrimidin-5-yl)methanone
CID 110132430
4-(2-ethenylsulfonylethyl)-3-(2-methyl-1,2,4-triazol-3-yl)morpholine
CID 138051010
4-[(3S)-4-[4-(methoxymethyl)benzoyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 137140093

Frequently Asked Questions

What is the IUPAC name of (8-methylindolizin-2-yl)-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The IUPAC name of (8-methylindolizin-2-yl)-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone (CID 136565165) is (8-methylindolizin-2-yl)-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (8-methylindolizin-2-yl)-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The canonical SMILES for (8-methylindolizin-2-yl)-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone is Cc1cccn2cc(C(=O)N3CCOCC3c3ncnn3C)cc12.
What is the InChIKey of (8-methylindolizin-2-yl)-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The InChIKey is XKJCXRQIVXDNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-12-4-3-5-21-9-13(8-14(12)21)17(23)22-6-7-24-10-15(22)16-18-11-19-20(16)2/h3-5,8-9,11,15H,6-7,10H2,1-2H3.
What are the key properties of (8-methylindolizin-2-yl)-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
(8-methylindolizin-2-yl)-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone has a molecular weight of 325.37 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methylindolizin-2-yl)-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 136565165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).