5-methyl-6-(piperidin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C12H17N5 — CID 162521944

IUPAC5-methyl-6-(piperidin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2ncnn2cc1CC1CCNCC1
InChIInChI=1S/C12H17N5/c1-9-11(6-10-2-4-13-5-3-10)7-17-12(16-9)14-8-15-17/h7-8,10,13H,2-6H2,1H3
InChIKeyIBSZEQQUCBQKLE-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.97
Rot. Bonds2

About 5-methyl-6-(piperidin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

5-methyl-6-(piperidin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 162521944) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-methyl-6-(piperidin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-6-(piperidin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID162521944
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name5-methyl-6-(piperidin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2ncnn2cc1CC1CCNCC1
InChIInChI=1S/C12H17N5/c1-9-11(6-10-2-4-13-5-3-10)7-17-12(16-9)14-8-15-17/h7-8,10,13H,2-6H2,1H3
InChIKeyIBSZEQQUCBQKLE-UHFFFAOYSA-N
XLogP0.97
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,2-dimethyl-4-(piperidin-4-ylmethyl)benzimidazole
CID 117360773
4-[(2,3,4-trimethylphenyl)methyl]piperidine
CID 116925401
4-[[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]piperidine
CID 74240471
4-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]piperidine
CID 82494193
4-[(2,6-dimethylphenyl)methyl]piperidine
CID 103840873
4,5-dimethyl-2-(piperidin-4-ylmethyl)phenol
CID 84786987
8-fluoro-7-methyl-6-piperidin-4-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 167434650
5-methyl-2-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 117155315
1-methyl-3-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridine
CID 84692955
4-[(1-propan-2-ylimidazol-2-yl)methyl]piperidine
CID 84734211
4-[2-(piperidin-4-ylmethyl)phenyl]piperidine
CID 117399981
5-methyl-4-(piperidin-4-ylmethyl)quinoline
CID 18365374

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(piperidin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-6-(piperidin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 162521944) is 5-methyl-6-(piperidin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-6-(piperidin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-6-(piperidin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1nc2ncnn2cc1CC1CCNCC1.
What is the InChIKey of 5-methyl-6-(piperidin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is IBSZEQQUCBQKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-9-11(6-10-2-4-13-5-3-10)7-17-12(16-9)14-8-15-17/h7-8,10,13H,2-6H2,1H3.
What are the key properties of 5-methyl-6-(piperidin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5-methyl-6-(piperidin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 231.30 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(piperidin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 162521944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).