5,7-dimethyl-3-(3-methylpiperidin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine

C13H19N5 — CID 79817686

IUPAC5,7-dimethyl-3-(3-methylpiperidin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCc1cc2nnc(C3(C)CCCNC3)n2c(C)n1
InChIInChI=1S/C13H19N5/c1-9-7-11-16-17-12(18(11)10(2)15-9)13(3)5-4-6-14-8-13/h7,14H,4-6,8H2,1-3H3
InChIKeyDPNVPNGNIMKVLX-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.38
Rot. Bonds1

About 5,7-dimethyl-3-(3-methylpiperidin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine

5,7-dimethyl-3-(3-methylpiperidin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 79817686) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 5,7-dimethyl-3-(3-methylpiperidin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-3-(3-methylpiperidin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID79817686
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name5,7-dimethyl-3-(3-methylpiperidin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCc1cc2nnc(C3(C)CCCNC3)n2c(C)n1
InChIInChI=1S/C13H19N5/c1-9-7-11-16-17-12(18(11)10(2)15-9)13(3)5-4-6-14-8-13/h7,14H,4-6,8H2,1-3H3
InChIKeyDPNVPNGNIMKVLX-UHFFFAOYSA-N
XLogP1.38
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-3-(3-methylpiperidin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The IUPAC name of 5,7-dimethyl-3-(3-methylpiperidin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine (CID 79817686) is 5,7-dimethyl-3-(3-methylpiperidin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-3-(3-methylpiperidin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The canonical SMILES for 5,7-dimethyl-3-(3-methylpiperidin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine is Cc1cc2nnc(C3(C)CCCNC3)n2c(C)n1.
What is the InChIKey of 5,7-dimethyl-3-(3-methylpiperidin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is DPNVPNGNIMKVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-9-7-11-16-17-12(18(11)10(2)15-9)13(3)5-4-6-14-8-13/h7,14H,4-6,8H2,1-3H3.
What are the key properties of 5,7-dimethyl-3-(3-methylpiperidin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
5,7-dimethyl-3-(3-methylpiperidin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 245.33 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3-(3-methylpiperidin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 79817686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).