N-methyl-1-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]ethanamine

C14H22N6 — CID 63853537

IUPACN-methyl-1-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]ethanamine
SMILESCNC(C)C1CCN(c2cc(C)nc3ncnn23)CC1
InChIInChI=1S/C14H22N6/c1-10-8-13(20-14(18-10)16-9-17-20)19-6-4-12(5-7-19)11(2)15-3/h8-9,11-12,15H,4-7H2,1-3H3
InChIKeyYSXOJELLEDFRPM-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.26
Rot. Bonds3

About N-methyl-1-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]ethanamine

N-methyl-1-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]ethanamine (PubChem CID 63853537) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is N-methyl-1-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]ethanamine
PubChem CID63853537
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC NameN-methyl-1-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]ethanamine
SMILESCNC(C)C1CCN(c2cc(C)nc3ncnn23)CC1
InChIInChI=1S/C14H22N6/c1-10-8-13(20-14(18-10)16-9-17-20)19-6-4-12(5-7-19)11(2)15-3/h8-9,11-12,15H,4-7H2,1-3H3
InChIKeyYSXOJELLEDFRPM-UHFFFAOYSA-N
XLogP1.26
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]ethanamine
CID 63854044
1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-ol
CID 18191380
7-(4-cyclopropylidenepiperidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 121184229
5-methyl-7-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133422921
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
7-[3-(2-bromoethyl)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 114800712
2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-amine
CID 63338782
5-methyl-7-(4-propan-2-ylsulfonylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 163347886
2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]oxyethanamine
CID 82692163
7-(4-ethylsulfonylpiperazin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 91956600
2-methyl-3-(methylamino)-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-one
CID 119872490
7-(1,4-diazepan-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 43517134

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]ethanamine?
The IUPAC name of N-methyl-1-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]ethanamine (CID 63853537) is N-methyl-1-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]ethanamine?
The canonical SMILES for N-methyl-1-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]ethanamine is CNC(C)C1CCN(c2cc(C)nc3ncnn23)CC1.
What is the InChIKey of N-methyl-1-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]ethanamine?
The InChIKey is YSXOJELLEDFRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-10-8-13(20-14(18-10)16-9-17-20)19-6-4-12(5-7-19)11(2)15-3/h8-9,11-12,15H,4-7H2,1-3H3.
What are the key properties of N-methyl-1-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]ethanamine?
N-methyl-1-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]ethanamine has a molecular weight of 274.37 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 63853537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).