7-[4-(6-tert-butylpyridazin-3-yl)piperazin-1-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

C19H26N8 — CID 139023388

IUPAC7-[4-(6-tert-butylpyridazin-3-yl)piperazin-1-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2ncnn2c(N2CCN(c3ccc(C(C)(C)C)nn3)CC2)c1C
InChIInChI=1S/C19H26N8/c1-13-14(2)22-18-20-12-21-27(18)17(13)26-10-8-25(9-11-26)16-7-6-15(23-24-16)19(3,4)5/h6-7,12H,8-11H2,1-5H3
InChIKeyZHEHMIULQWVOJT-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.16
Rot. Bonds2

About 7-[4-(6-tert-butylpyridazin-3-yl)piperazin-1-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

7-[4-(6-tert-butylpyridazin-3-yl)piperazin-1-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 139023388) has the molecular formula C19H26N8 and a molecular weight of 366.47 g/mol. Its IUPAC name is 7-[4-(6-tert-butylpyridazin-3-yl)piperazin-1-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[4-(6-tert-butylpyridazin-3-yl)piperazin-1-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID139023388
Molecular FormulaC19H26N8
Molecular Weight366.47 g/mol
Exact Mass366.23
IUPAC Name7-[4-(6-tert-butylpyridazin-3-yl)piperazin-1-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2ncnn2c(N2CCN(c3ccc(C(C)(C)C)nn3)CC2)c1C
InChIInChI=1S/C19H26N8/c1-13-14(2)22-18-20-12-21-27(18)17(13)26-10-8-25(9-11-26)16-7-6-15(23-24-16)19(3,4)5/h6-7,12H,8-11H2,1-5H3
InChIKeyZHEHMIULQWVOJT-UHFFFAOYSA-N
XLogP2.16
TPSA75.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-[4-(6-tert-butylpyridazin-3-yl)piperazin-1-yl]-5,6-dimethyl-[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

Frequently Asked Questions

What is the IUPAC name of 7-[4-(6-tert-butylpyridazin-3-yl)piperazin-1-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[4-(6-tert-butylpyridazin-3-yl)piperazin-1-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 139023388) is 7-[4-(6-tert-butylpyridazin-3-yl)piperazin-1-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[4-(6-tert-butylpyridazin-3-yl)piperazin-1-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[4-(6-tert-butylpyridazin-3-yl)piperazin-1-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1nc2ncnn2c(N2CCN(c3ccc(C(C)(C)C)nn3)CC2)c1C.
What is the InChIKey of 7-[4-(6-tert-butylpyridazin-3-yl)piperazin-1-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is ZHEHMIULQWVOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N8/c1-13-14(2)22-18-20-12-21-27(18)17(13)26-10-8-25(9-11-26)16-7-6-15(23-24-16)19(3,4)5/h6-7,12H,8-11H2,1-5H3.
What are the key properties of 7-[4-(6-tert-butylpyridazin-3-yl)piperazin-1-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-[4-(6-tert-butylpyridazin-3-yl)piperazin-1-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 366.47 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(6-tert-butylpyridazin-3-yl)piperazin-1-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 139023388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).