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

C17H26N6 — CID 53202320

IUPAC5-methyl-2-[(2-methylpiperidin-1-yl)methyl]-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCCC2)n2nc(CN3CCCCC3C)nc2n1
InChIInChI=1S/C17H26N6/c1-13-11-16(21-8-5-6-9-21)23-17(18-13)19-15(20-23)12-22-10-4-3-7-14(22)2/h11,14H,3-10,12H2,1-2H3
InChIKeyKPZBYIJKDKBQSZ-UHFFFAOYSA-N
MW314.44 g/mol
LogP2.41
Rot. Bonds3

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

5-methyl-2-[(2-methylpiperidin-1-yl)methyl]-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 53202320) has the molecular formula C17H26N6 and a molecular weight of 314.44 g/mol. Its IUPAC name is 5-methyl-2-[(2-methylpiperidin-1-yl)methyl]-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-2-[(2-methylpiperidin-1-yl)methyl]-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID53202320
Molecular FormulaC17H26N6
Molecular Weight314.44 g/mol
Exact Mass314.22
IUPAC Name5-methyl-2-[(2-methylpiperidin-1-yl)methyl]-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCCC2)n2nc(CN3CCCCC3C)nc2n1
InChIInChI=1S/C17H26N6/c1-13-11-16(21-8-5-6-9-21)23-17(18-13)19-15(20-23)12-22-10-4-3-7-14(22)2/h11,14H,3-10,12H2,1-2H3
InChIKeyKPZBYIJKDKBQSZ-UHFFFAOYSA-N
XLogP2.41
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(2-methylpiperidin-1-yl)methyl]-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-2-[(2-methylpiperidin-1-yl)methyl]-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 53202320) is 5-methyl-2-[(2-methylpiperidin-1-yl)methyl]-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-2-[(2-methylpiperidin-1-yl)methyl]-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-2-[(2-methylpiperidin-1-yl)methyl]-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(N2CCCC2)n2nc(CN3CCCCC3C)nc2n1.
What is the InChIKey of 5-methyl-2-[(2-methylpiperidin-1-yl)methyl]-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is KPZBYIJKDKBQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6/c1-13-11-16(21-8-5-6-9-21)23-17(18-13)19-15(20-23)12-22-10-4-3-7-14(22)2/h11,14H,3-10,12H2,1-2H3.
What are the key properties of 5-methyl-2-[(2-methylpiperidin-1-yl)methyl]-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
5-methyl-2-[(2-methylpiperidin-1-yl)methyl]-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 314.44 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(2-methylpiperidin-1-yl)methyl]-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 53202320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).