6-ethyl-5-methyl-7-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

C13H20N6 — CID 53017040

IUPAC6-ethyl-5-methyl-7-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCc1c(C)nc2ncnn2c1N1CCN(C)CC1
InChIInChI=1S/C13H20N6/c1-4-11-10(2)16-13-14-9-15-19(13)12(11)18-7-5-17(3)6-8-18/h9H,4-8H2,1-3H3
InChIKeyKICISWPMGXFOJD-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.75
Rot. Bonds2

About 6-ethyl-5-methyl-7-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

6-ethyl-5-methyl-7-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 53017040) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is 6-ethyl-5-methyl-7-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-ethyl-5-methyl-7-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID53017040
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name6-ethyl-5-methyl-7-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCc1c(C)nc2ncnn2c1N1CCN(C)CC1
InChIInChI=1S/C13H20N6/c1-4-11-10(2)16-13-14-9-15-19(13)12(11)18-7-5-17(3)6-8-18/h9H,4-8H2,1-3H3
InChIKeyKICISWPMGXFOJD-UHFFFAOYSA-N
XLogP0.75
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-ethyl-5-methyl-7-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ametoctradin
CID 15604010
Bumepidil
CID 68813
9-Piperazin-1-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline
CID 1448285
4-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 56778068
3-Ethyl-7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
CID 12671184
7-Methyl-3-propyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
CID 12671185
7-Methyl-3-propan-2-yl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
CID 12671186
4,7-Dimethyl-3-propan-2-yl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
CID 12671190
4-Ethyl-7-methyl-3-propan-2-yl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
CID 12671191
8-n-Butyl-6,7-dihydro-5-methyl-8H-pyrrolo[3,2-e]-s-triazolo[1,5-a]pyrimidin
CID 12671194
3-Butyl-4,7-dimethyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
CID 12671196
3-Butyl-4-ethyl-7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
CID 12671197

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-methyl-7-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 6-ethyl-5-methyl-7-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 53017040) is 6-ethyl-5-methyl-7-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-ethyl-5-methyl-7-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-ethyl-5-methyl-7-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is CCc1c(C)nc2ncnn2c1N1CCN(C)CC1.
What is the InChIKey of 6-ethyl-5-methyl-7-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is KICISWPMGXFOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-4-11-10(2)16-13-14-9-15-19(13)12(11)18-7-5-17(3)6-8-18/h9H,4-8H2,1-3H3.
What are the key properties of 6-ethyl-5-methyl-7-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
6-ethyl-5-methyl-7-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 260.34 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methyl-7-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 53017040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).