(4-chloro-2-pyridinyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone

C16H15ClN6O2 — CID 118471320

IUPAC(4-chloro-2-pyridinyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
SMILESCc1cc(C2CN(C(=O)c3cc(Cl)ccn3)CCO2)n2ncnc2n1
InChIInChI=1S/C16H15ClN6O2/c1-10-6-13(23-16(21-10)19-9-20-23)14-8-22(4-5-25-14)15(24)12-7-11(17)2-3-18-12/h2-3,6-7,9,14H,4-5,8H2,1H3
InChIKeyMHTLPXCPHDTCCM-UHFFFAOYSA-N
MW358.79 g/mol
LogP1.69
Rot. Bonds2

About (4-chloro-2-pyridinyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone

(4-chloro-2-pyridinyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone (PubChem CID 118471320) has the molecular formula C16H15ClN6O2 and a molecular weight of 358.79 g/mol. Its IUPAC name is (4-chloro-2-pyridinyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-chloro-2-pyridinyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
PubChem CID118471320
Molecular FormulaC16H15ClN6O2
Molecular Weight358.79 g/mol
Exact Mass358.09
IUPAC Name(4-chloro-2-pyridinyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
SMILESCc1cc(C2CN(C(=O)c3cc(Cl)ccn3)CCO2)n2ncnc2n1
InChIInChI=1S/C16H15ClN6O2/c1-10-6-13(23-16(21-10)19-9-20-23)14-8-22(4-5-25-14)15(24)12-7-11(17)2-3-18-12/h2-3,6-7,9,14H,4-5,8H2,1H3
InChIKeyMHTLPXCPHDTCCM-UHFFFAOYSA-N
XLogP1.69
TPSA85.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.79
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3-bromo-5-chlorophenyl)-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
CID 118479698
(3-methylphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
CID 123546202
(4-methoxyphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
CID 118472637
(4-cyclopropyl-2,3-difluorophenyl)-[(2R)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
CID 118479721
(3-methyl-4-propan-2-yloxyphenyl)-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
CID 118479594
2-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine-4-carbonyl]naphthalene-1-carbaldehyde
CID 139462748
[3-bromo-5-(trifluoromethyl)phenyl]-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone;ethane
CID 144952129
[(2S)-2-(2-chlorophenyl)morpholin-4-yl]-(4-chloro-2-pyridinyl)methanone
CID 95296582
6-methoxy-2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine-4-carbonyl]naphthalene-1-carbaldehyde
CID 139462772
(2S)-4-[1-[(3R)-3,4-dihydro-2H-chromen-3-yl]ethenyl]-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 163981509
(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
CID 118472483
1-[5-[[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]propan-2-one
CID 159420009

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-pyridinyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The IUPAC name of (4-chloro-2-pyridinyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone (CID 118471320) is (4-chloro-2-pyridinyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (4-chloro-2-pyridinyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The canonical SMILES for (4-chloro-2-pyridinyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone is Cc1cc(C2CN(C(=O)c3cc(Cl)ccn3)CCO2)n2ncnc2n1.
What is the InChIKey of (4-chloro-2-pyridinyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The InChIKey is MHTLPXCPHDTCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN6O2/c1-10-6-13(23-16(21-10)19-9-20-23)14-8-22(4-5-25-14)15(24)12-7-11(17)2-3-18-12/h2-3,6-7,9,14H,4-5,8H2,1H3.
What are the key properties of (4-chloro-2-pyridinyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
(4-chloro-2-pyridinyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone has a molecular weight of 358.79 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-pyridinyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 118471320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).