3-(3-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine

C11H15N5 — CID 107070582

IUPAC3-(3-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCC1CCCNC1c1nnc2ccncn12
InChIInChI=1S/C11H15N5/c1-8-3-2-5-13-10(8)11-15-14-9-4-6-12-7-16(9)11/h4,6-8,10,13H,2-3,5H2,1H3
InChIKeyPTNIVYOUKQFIOC-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.18
Rot. Bonds1

About 3-(3-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine

3-(3-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 107070582) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 3-(3-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name3-(3-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID107070582
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name3-(3-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCC1CCCNC1c1nnc2ccncn12
InChIInChI=1S/C11H15N5/c1-8-3-2-5-13-10(8)11-15-14-9-4-6-12-7-16(9)11/h4,6-8,10,13H,2-3,5H2,1H3
InChIKeyPTNIVYOUKQFIOC-UHFFFAOYSA-N
XLogP1.18
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-(1-methylimidazol-2-yl)piperidine
CID 106779154
4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclopent-2-en-1-amine
CID 79817368
(3R)-3-methyl-2-phenylpiperidine
CID 155222992
2-(2-ethylpyrazol-3-yl)-3-methylpiperidine
CID 106779052
N-ethyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)oxolan-3-amine
CID 79817365
3-cyclohexyl-6-(3-methylpiperidin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 107070563
6-chloro-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 84750911
6-fluoro-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 84750912
1-cyclopropyl-6-fluoro-2-(3-methylpiperidin-2-yl)benzimidazole
CID 107070503
1-ethyl-5-fluoro-2-(3-methylpiperidin-2-yl)benzimidazole
CID 107070471
4-ethyl-3-(3-methylpyrrolidin-2-yl)-1,2,4-triazole
CID 102783739
2-(1,4-dimethylpyrazol-5-yl)-3-methylpiperidine
CID 130527595

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The IUPAC name of 3-(3-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine (CID 107070582) is 3-(3-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the SMILES notation for 3-(3-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The canonical SMILES for 3-(3-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine is CC1CCCNC1c1nnc2ccncn12.
What is the InChIKey of 3-(3-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is PTNIVYOUKQFIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-8-3-2-5-13-10(8)11-15-14-9-4-6-12-7-16(9)11/h4,6-8,10,13H,2-3,5H2,1H3.
What are the key properties of 3-(3-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
3-(3-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 217.28 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 107070582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).