5-ethyl-7-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

C13H19N5 — CID 46094523

IUPAC5-ethyl-7-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCc1cc(N2CCCC(C)C2)n2ncnc2n1
InChIInChI=1S/C13H19N5/c1-3-11-7-12(17-6-4-5-10(2)8-17)18-13(16-11)14-9-15-18/h7,9-10H,3-6,8H2,1-2H3
InChIKeyCWRBYMMNVPDPEH-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.92
Rot. Bonds2

About 5-ethyl-7-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

5-ethyl-7-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 46094523) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-ethyl-7-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-ethyl-7-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID46094523
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name5-ethyl-7-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCc1cc(N2CCCC(C)C2)n2ncnc2n1
InChIInChI=1S/C13H19N5/c1-3-11-7-12(17-6-4-5-10(2)8-17)18-13(16-11)14-9-15-18/h7,9-10H,3-6,8H2,1-2H3
InChIKeyCWRBYMMNVPDPEH-UHFFFAOYSA-N
XLogP1.92
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Trapidil
CID 5531
5,7-Dimethyl(1,2,4)triazolo(1,5-a)pyrimidine
CID 24356
5,7-Dimethyl-2-(2-(6-(pyrrolidin-1-yl)pyrazin-2-yl)ethyl)-[1,2,4]triazolo-[1,5-a]pyrimidine
CID 72706927
3,5,7-trimethyl-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium
CID 3238460
2-(3,5-Dimethylpyrazol-1-yl)-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidine
CID 879239
3-Ethyl-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53318090
7-Cyclopropyl-3-methylpyrazolo[1,5-a]pyrimidine
CID 1485522
N-methyl-1-(piperidin-3-ylmethyl)-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine
CID 68212528
2-[(1R,2R)-2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 89486916
1-(5-Propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-piperidine-3-carboxylic acid ethylamide
CID 649450
4-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 56778068
5-isopropyl-N,2-dimethyl-N-[(1-methyl-2-pyrrolidinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56889089

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-ethyl-7-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 46094523) is 5-ethyl-7-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-ethyl-7-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-ethyl-7-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is CCc1cc(N2CCCC(C)C2)n2ncnc2n1.
What is the InChIKey of 5-ethyl-7-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is CWRBYMMNVPDPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-3-11-7-12(17-6-4-5-10(2)8-17)18-13(16-11)14-9-15-18/h7,9-10H,3-6,8H2,1-2H3.
What are the key properties of 5-ethyl-7-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5-ethyl-7-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 245.33 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 46094523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).