7-methyl-3-(piperidin-4-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine

C12H17N5 — CID 79609021

IUPAC7-methyl-3-(piperidin-4-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCc1cc2nnc(CC3CCNCC3)n2cn1
InChIInChI=1S/C12H17N5/c1-9-6-11-15-16-12(17(11)8-14-9)7-10-2-4-13-5-3-10/h6,8,10,13H,2-5,7H2,1H3
InChIKeyIBJURIAVUQYLIO-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.97
Rot. Bonds2

About 7-methyl-3-(piperidin-4-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine

7-methyl-3-(piperidin-4-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 79609021) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 7-methyl-3-(piperidin-4-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name7-methyl-3-(piperidin-4-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID79609021
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name7-methyl-3-(piperidin-4-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCc1cc2nnc(CC3CCNCC3)n2cn1
InChIInChI=1S/C12H17N5/c1-9-6-11-15-16-12(17(11)8-14-9)7-10-2-4-13-5-3-10/h6,8,10,13H,2-5,7H2,1H3
InChIKeyIBJURIAVUQYLIO-UHFFFAOYSA-N
XLogP0.97
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(piperidin-4-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The IUPAC name of 7-methyl-3-(piperidin-4-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine (CID 79609021) is 7-methyl-3-(piperidin-4-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the SMILES notation for 7-methyl-3-(piperidin-4-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The canonical SMILES for 7-methyl-3-(piperidin-4-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine is Cc1cc2nnc(CC3CCNCC3)n2cn1.
What is the InChIKey of 7-methyl-3-(piperidin-4-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is IBJURIAVUQYLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-9-6-11-15-16-12(17(11)8-14-9)7-10-2-4-13-5-3-10/h6,8,10,13H,2-5,7H2,1H3.
What are the key properties of 7-methyl-3-(piperidin-4-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine?
7-methyl-3-(piperidin-4-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 231.30 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(piperidin-4-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 79609021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).