5,6-dimethyl-7-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

C18H18N8 — CID 75374743

IUPAC5,6-dimethyl-7-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2ncnn2c(N2CCn3c(nnc3-c3ccccc3)C2)c1C
InChIInChI=1S/C18H18N8/c1-12-13(2)21-18-19-11-20-26(18)17(12)24-8-9-25-15(10-24)22-23-16(25)14-6-4-3-5-7-14/h3-7,11H,8-10H2,1-2H3
InChIKeyLPRMPAGTZMBAHM-UHFFFAOYSA-N
MW346.40 g/mol
LogP2.02
Rot. Bonds2

About 5,6-dimethyl-7-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

5,6-dimethyl-7-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 75374743) has the molecular formula C18H18N8 and a molecular weight of 346.40 g/mol. Its IUPAC name is 5,6-dimethyl-7-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,6-dimethyl-7-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID75374743
Molecular FormulaC18H18N8
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name5,6-dimethyl-7-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2ncnn2c(N2CCn3c(nnc3-c3ccccc3)C2)c1C
InChIInChI=1S/C18H18N8/c1-12-13(2)21-18-19-11-20-26(18)17(12)24-8-9-25-15(10-24)22-23-16(25)14-6-4-3-5-7-14/h3-7,11H,8-10H2,1-2H3
InChIKeyLPRMPAGTZMBAHM-UHFFFAOYSA-N
XLogP2.02
TPSA77.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5,6-dimethyl-7-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-7-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5,6-dimethyl-7-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 75374743) is 5,6-dimethyl-7-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,6-dimethyl-7-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,6-dimethyl-7-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1nc2ncnn2c(N2CCn3c(nnc3-c3ccccc3)C2)c1C.
What is the InChIKey of 5,6-dimethyl-7-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is LPRMPAGTZMBAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8/c1-12-13(2)21-18-19-11-20-26(18)17(12)24-8-9-25-15(10-24)22-23-16(25)14-6-4-3-5-7-14/h3-7,11H,8-10H2,1-2H3.
What are the key properties of 5,6-dimethyl-7-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5,6-dimethyl-7-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 346.40 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-7-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 75374743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).