4-N,4-N,1-trimethyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide

C19H18N8O2 — CID 165415043

IUPAC4-N,4-N,1-trimethyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
SMILESCN(C)C(=O)c1cnn(C)c1C(=O)Nc1cc2nc(-c3ccccc3)nn2cn1
InChIInChI=1S/C19H18N8O2/c1-25(2)19(29)13-10-21-26(3)16(13)18(28)22-14-9-15-23-17(24-27(15)11-20-14)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,22,28)
InChIKeyLSIJTOJBBOWFET-UHFFFAOYSA-N
MW390.41 g/mol
LogP1.48
Rot. Bonds4

About 4-N,4-N,1-trimethyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide

4-N,4-N,1-trimethyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide (PubChem CID 165415043) has the molecular formula C19H18N8O2 and a molecular weight of 390.41 g/mol. Its IUPAC name is 4-N,4-N,1-trimethyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N,4-N,1-trimethyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
PubChem CID165415043
Molecular FormulaC19H18N8O2
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC Name4-N,4-N,1-trimethyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
SMILESCN(C)C(=O)c1cnn(C)c1C(=O)Nc1cc2nc(-c3ccccc3)nn2cn1
InChIInChI=1S/C19H18N8O2/c1-25(2)19(29)13-10-21-26(3)16(13)18(28)22-14-9-15-23-17(24-27(15)11-20-14)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,22,28)
InChIKeyLSIJTOJBBOWFET-UHFFFAOYSA-N
XLogP1.48
TPSA110.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N,1-trimethyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide?
The IUPAC name of 4-N,4-N,1-trimethyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide (CID 165415043) is 4-N,4-N,1-trimethyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N,4-N,1-trimethyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide?
The canonical SMILES for 4-N,4-N,1-trimethyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide is CN(C)C(=O)c1cnn(C)c1C(=O)Nc1cc2nc(-c3ccccc3)nn2cn1.
What is the InChIKey of 4-N,4-N,1-trimethyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide?
The InChIKey is LSIJTOJBBOWFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8O2/c1-25(2)19(29)13-10-21-26(3)16(13)18(28)22-14-9-15-23-17(24-27(15)11-20-14)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,22,28).
What are the key properties of 4-N,4-N,1-trimethyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide?
4-N,4-N,1-trimethyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide has a molecular weight of 390.41 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N,1-trimethyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide is sourced from PubChem (CID 165415043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).