7-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

C16H22N8 — CID 95336447

IUPAC7-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCCC[C@H]2Cn2nc(C)nc2C)n2ncnc2n1
InChIInChI=1S/C16H22N8/c1-11-8-15(24-16(19-11)17-10-18-24)22-7-5-4-6-14(22)9-23-13(3)20-12(2)21-23/h8,10,14H,4-7,9H2,1-3H3/t14-/m0/s1
InChIKeyWJFOTZDTEGDUJG-AWEZNQCLSA-N
MW326.41 g/mol
LogP1.70
Rot. Bonds3

About 7-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

7-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 95336447) has the molecular formula C16H22N8 and a molecular weight of 326.41 g/mol. Its IUPAC name is 7-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID95336447
Molecular FormulaC16H22N8
Molecular Weight326.41 g/mol
Exact Mass326.20
IUPAC Name7-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCCC[C@H]2Cn2nc(C)nc2C)n2ncnc2n1
InChIInChI=1S/C16H22N8/c1-11-8-15(24-16(19-11)17-10-18-24)22-7-5-4-6-14(22)9-23-13(3)20-12(2)21-23/h8,10,14H,4-7,9H2,1-3H3/t14-/m0/s1
InChIKeyWJFOTZDTEGDUJG-AWEZNQCLSA-N
XLogP1.70
TPSA77.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.41
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

7-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 95341158
5-methyl-7-(2-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 5302733
6-tert-butyl-2-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923928
7-[2-(3-chloropropyl)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 63389962
1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-2-carbaldehyde
CID 62663961
6-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 154748330
[4-methyl-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-2-yl]methanamine
CID 80506250
(2S)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-2-carboxylic acid
CID 120964867
[4-methoxy-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]methanamine
CID 115963984
[(2S)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methanol
CID 95296940
7-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103198220
1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-2-carboxamide
CID 42917859

Frequently Asked Questions

What is the IUPAC name of 7-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 95336447) is 7-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(N2CCCC[C@H]2Cn2nc(C)nc2C)n2ncnc2n1.
What is the InChIKey of 7-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is WJFOTZDTEGDUJG-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N8/c1-11-8-15(24-16(19-11)17-10-18-24)22-7-5-4-6-14(22)9-23-13(3)20-12(2)21-23/h8,10,14H,4-7,9H2,1-3H3/t14-/m0/s1.
What are the key properties of 7-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 326.41 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 95336447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).