[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-pyridin-3-ylmethanone

C17H18N6O — CID 118471028

IUPAC[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCc1cc(C2CCCN(C(=O)c3cccnc3)C2)n2ncnc2n1
InChIInChI=1S/C17H18N6O/c1-12-8-15(23-17(21-12)19-11-20-23)14-5-3-7-22(10-14)16(24)13-4-2-6-18-9-13/h2,4,6,8-9,11,14H,3,5,7,10H2,1H3
InChIKeyYAJOCLHXUHFZOO-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.85
Rot. Bonds2

About [3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-pyridin-3-ylmethanone

[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 118471028) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is [3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID118471028
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCc1cc(C2CCCN(C(=O)c3cccnc3)C2)n2ncnc2n1
InChIInChI=1S/C17H18N6O/c1-12-8-15(23-17(21-12)19-11-20-23)14-5-3-7-22(10-14)16(24)13-4-2-6-18-9-13/h2,4,6,8-9,11,14H,3,5,7,10H2,1H3
InChIKeyYAJOCLHXUHFZOO-UHFFFAOYSA-N
XLogP1.85
TPSA76.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1-methylpyrrol-3-yl)-[(3S)-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
CID 155441282
(6-methoxy-3-pyridinyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
CID 118472520
(3,4-difluorophenyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
CID 118472541
(6-fluoronaphthalen-2-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
CID 118470899
[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(2-phenylphenyl)methanone
CID 118471517
1-benzothiophen-2-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
CID 118471376
7-[1-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethenyl]isoquinoline
CID 163821432
1,3-benzoxazol-2-yl-[(3S)-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
CID 147171615
(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
tert-butyl 3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate
CID 118472590
7-[1-[(2,6-difluoro-4-pyridin-3-ylphenyl)methyl]piperidin-3-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 118472719
2-[(3R)-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carbonyl]naphthalene-1-carbaldehyde
CID 139462747

Frequently Asked Questions

What is the IUPAC name of [3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-pyridin-3-ylmethanone (CID 118471028) is [3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-pyridin-3-ylmethanone is Cc1cc(C2CCCN(C(=O)c3cccnc3)C2)n2ncnc2n1.
What is the InChIKey of [3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is YAJOCLHXUHFZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-12-8-15(23-17(21-12)19-11-20-23)14-5-3-7-22(10-14)16(24)13-4-2-6-18-9-13/h2,4,6,8-9,11,14H,3,5,7,10H2,1H3.
What are the key properties of [3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-pyridin-3-ylmethanone?
[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 322.37 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 118471028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).