5-methyl-7-(2-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

C12H17N5 — CID 5302733

IUPAC5-methyl-7-(2-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCCCC2C)n2ncnc2n1
InChIInChI=1S/C12H17N5/c1-9-7-11(16-6-4-3-5-10(16)2)17-12(15-9)13-8-14-17/h7-8,10H,3-6H2,1-2H3
InChIKeyIFVWTMWVHVPPEQ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.81
Rot. Bonds1

About 5-methyl-7-(2-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

5-methyl-7-(2-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 5302733) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-methyl-7-(2-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-7-(2-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID5302733
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name5-methyl-7-(2-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCCCC2C)n2ncnc2n1
InChIInChI=1S/C12H17N5/c1-9-7-11(16-6-4-3-5-10(16)2)17-12(15-9)13-8-14-17/h7-8,10H,3-6H2,1-2H3
InChIKeyIFVWTMWVHVPPEQ-UHFFFAOYSA-N
XLogP1.81
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-2-carbaldehyde
CID 62663961
7-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 95341158
1-[3-methyl-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-2-ol
CID 133498173
(2S)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-2-carboxylic acid
CID 120964867
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
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
7-[2-(3-chloropropyl)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 63389962
7-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 97221913
1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-ol
CID 18191380
2,5-dimethyl-7-[(2S)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 95895380
7-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 95764363

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(2-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-7-(2-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 5302733) is 5-methyl-7-(2-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-7-(2-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-7-(2-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(N2CCCCC2C)n2ncnc2n1.
What is the InChIKey of 5-methyl-7-(2-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is IFVWTMWVHVPPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-9-7-11(16-6-4-3-5-10(16)2)17-12(15-9)13-8-14-17/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 5-methyl-7-(2-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5-methyl-7-(2-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 231.30 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(2-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 5302733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).