5-(4-methylpiperidin-1-yl)-7-pyrrolidin-1-yl-2H-triazolo[4,5-d]pyrimidine

C14H21N7 — CID 52907554

IUPAC5-(4-methylpiperidin-1-yl)-7-pyrrolidin-1-yl-2H-triazolo[4,5-d]pyrimidine
SMILESCC1CCN(c2nc(N3CCCC3)c3n[nH]nc3n2)CC1
InChIInChI=1S/C14H21N7/c1-10-4-8-21(9-5-10)14-15-12-11(17-19-18-12)13(16-14)20-6-2-3-7-20/h10H,2-9H2,1H3,(H,15,16,17,18,19)
InChIKeyXNKUKUXJVGLJMN-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.58
Rot. Bonds2

About 5-(4-methylpiperidin-1-yl)-7-pyrrolidin-1-yl-2H-triazolo[4,5-d]pyrimidine

5-(4-methylpiperidin-1-yl)-7-pyrrolidin-1-yl-2H-triazolo[4,5-d]pyrimidine (PubChem CID 52907554) has the molecular formula C14H21N7 and a molecular weight of 287.37 g/mol. Its IUPAC name is 5-(4-methylpiperidin-1-yl)-7-pyrrolidin-1-yl-2H-triazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name5-(4-methylpiperidin-1-yl)-7-pyrrolidin-1-yl-2H-triazolo[4,5-d]pyrimidine
PubChem CID52907554
Molecular FormulaC14H21N7
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC Name5-(4-methylpiperidin-1-yl)-7-pyrrolidin-1-yl-2H-triazolo[4,5-d]pyrimidine
SMILESCC1CCN(c2nc(N3CCCC3)c3n[nH]nc3n2)CC1
InChIInChI=1S/C14H21N7/c1-10-4-8-21(9-5-10)14-15-12-11(17-19-18-12)13(16-14)20-6-2-3-7-20/h10H,2-9H2,1H3,(H,15,16,17,18,19)
InChIKeyXNKUKUXJVGLJMN-UHFFFAOYSA-N
XLogP1.58
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-7-piperidin-1-yl-3H-[1,2,3]triazolo[4,5-d]pyrimidine
CID 7424081
4-Methyl-1-{3-methyl-3H-[1,2,3]triazolo[4,5-D]pyrimidin-7-YL}piperidine
CID 7424084
9-cyclopentyl-N-(4-methylpiperazin-1-yl)purin-6-amine
CID 44591063
9-Cyclopentyl-6-(4-methylpiperidin-1-yl)purine
CID 44591065
3-Methyl-7-(3-methylpiperidino)-3H-[1,2,3]triazolo[4,5-D]pyrimidine
CID 16032289
3-ethyl-7-(pyrrolidin-1-yl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine
CID 7584316
5-tert-Butyl-7-(3,3-difluoro-pyrrolidin-1-yl)-3-ethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine
CID 71558205
5-tert-Butyl-7-(3,3-difluoro-pyrrolidin-1-yl)-3-(2,2,2-trifluoro-ethyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine
CID 71558517
5-tert-Butyl-7-(3,3-difluoro-pyrrolidin-1-yl)-2-ethyl-2H-[1,2,3]triazolo[4,5-d]pyrimidine
CID 71576307
5-tert-Butyl-2-cyclohexylmethyl-7-(3,3-difluoro-pyrrolidin-1-yl)-2H-[1,2,3]triazolo[4,5-d]pyrimidine
CID 71576354
5-tert-butyl-7-(3,3-difluoropyrrolidin-1-yl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine
CID 86683301
5-tert-Butyl-3-cyclohexylmethyl-7-(3,3-difluoro-pyrrolidin-1-yl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine
CID 86683303

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperidin-1-yl)-7-pyrrolidin-1-yl-2H-triazolo[4,5-d]pyrimidine?
The IUPAC name of 5-(4-methylpiperidin-1-yl)-7-pyrrolidin-1-yl-2H-triazolo[4,5-d]pyrimidine (CID 52907554) is 5-(4-methylpiperidin-1-yl)-7-pyrrolidin-1-yl-2H-triazolo[4,5-d]pyrimidine.
What is the SMILES notation for 5-(4-methylpiperidin-1-yl)-7-pyrrolidin-1-yl-2H-triazolo[4,5-d]pyrimidine?
The canonical SMILES for 5-(4-methylpiperidin-1-yl)-7-pyrrolidin-1-yl-2H-triazolo[4,5-d]pyrimidine is CC1CCN(c2nc(N3CCCC3)c3n[nH]nc3n2)CC1.
What is the InChIKey of 5-(4-methylpiperidin-1-yl)-7-pyrrolidin-1-yl-2H-triazolo[4,5-d]pyrimidine?
The InChIKey is XNKUKUXJVGLJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7/c1-10-4-8-21(9-5-10)14-15-12-11(17-19-18-12)13(16-14)20-6-2-3-7-20/h10H,2-9H2,1H3,(H,15,16,17,18,19).
What are the key properties of 5-(4-methylpiperidin-1-yl)-7-pyrrolidin-1-yl-2H-triazolo[4,5-d]pyrimidine?
5-(4-methylpiperidin-1-yl)-7-pyrrolidin-1-yl-2H-triazolo[4,5-d]pyrimidine has a molecular weight of 287.37 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperidin-1-yl)-7-pyrrolidin-1-yl-2H-triazolo[4,5-d]pyrimidine is sourced from PubChem (CID 52907554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).