[(7R)-5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone

C17H20N6O — CID 135880701

IUPAC[(7R)-5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone
SMILESCC1=C(C(=O)N2CCCCC2)[C@@H](c2cccnc2)n2ncnc2N1
InChIInChI=1S/C17H20N6O/c1-12-14(16(24)22-8-3-2-4-9-22)15(13-6-5-7-18-10-13)23-17(21-12)19-11-20-23/h5-7,10-11,15H,2-4,8-9H2,1H3,(H,19,20,21)/t15-/m1/s1
InChIKeyTWLNAUXEXAIQDK-OAHLLOKOSA-N
MW324.39 g/mol
LogP1.97
Rot. Bonds2

About [(7R)-5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone

[(7R)-5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone (PubChem CID 135880701) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is [(7R)-5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(7R)-5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone
PubChem CID135880701
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name[(7R)-5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone
SMILESCC1=C(C(=O)N2CCCCC2)[C@@H](c2cccnc2)n2ncnc2N1
InChIInChI=1S/C17H20N6O/c1-12-14(16(24)22-8-3-2-4-9-22)15(13-6-5-7-18-10-13)23-17(21-12)19-11-20-23/h5-7,10-11,15H,2-4,8-9H2,1H3,(H,19,20,21)/t15-/m1/s1
InChIKeyTWLNAUXEXAIQDK-OAHLLOKOSA-N
XLogP1.97
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(7R)-5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-methyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-piperidin-1-ylmethanone
CID 135616344
[7-(2-fluorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone
CID 5113054
(4-methylpiperazin-1-yl)-[(7S)-5-methyl-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanone
CID 136699862
[(7S)-7-(2-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone
CID 136902276
[(7R)-7-(2-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone
CID 136902277
(4-benzylpiperazin-1-yl)-[(7S)-5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanone
CID 137155426
(7R)-N-(2,4-dimethylphenyl)-5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 1179967
5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 135646452
[(7R)-7-(4-hydroxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 136699847
(5-methyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-morpholin-4-ylmethanone
CID 135616316
ethyl (7R)-5-propyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 734005
(7S)-7-(4-hydroxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 693481

Frequently Asked Questions

What is the IUPAC name of [(7R)-5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone?
The IUPAC name of [(7R)-5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone (CID 135880701) is [(7R)-5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(7R)-5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [(7R)-5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone is CC1=C(C(=O)N2CCCCC2)[C@@H](c2cccnc2)n2ncnc2N1.
What is the InChIKey of [(7R)-5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone?
The InChIKey is TWLNAUXEXAIQDK-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20N6O/c1-12-14(16(24)22-8-3-2-4-9-22)15(13-6-5-7-18-10-13)23-17(21-12)19-11-20-23/h5-7,10-11,15H,2-4,8-9H2,1H3,(H,19,20,21)/t15-/m1/s1.
What are the key properties of [(7R)-5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone?
[(7R)-5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone has a molecular weight of 324.39 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(7R)-5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 135880701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).