4-(4-benzyl-3,5-dimethylpyrazol-1-yl)-6-pyridin-2-yl-1,3,5-triazin-2-amine

C20H19N7 — CID 22174870

IUPAC4-(4-benzyl-3,5-dimethylpyrazol-1-yl)-6-pyridin-2-yl-1,3,5-triazin-2-amine
SMILESCc1nn(-c2nc(N)nc(-c3ccccn3)n2)c(C)c1Cc1ccccc1
InChIInChI=1S/C20H19N7/c1-13-16(12-15-8-4-3-5-9-15)14(2)27(26-13)20-24-18(23-19(21)25-20)17-10-6-7-11-22-17/h3-11H,12H2,1-2H3,(H2,21,23,24,25)
InChIKeyXXYXJTKPTFBPLV-UHFFFAOYSA-N
MW357.42 g/mol
LogP2.91
Rot. Bonds4

About 4-(4-benzyl-3,5-dimethylpyrazol-1-yl)-6-pyridin-2-yl-1,3,5-triazin-2-amine

4-(4-benzyl-3,5-dimethylpyrazol-1-yl)-6-pyridin-2-yl-1,3,5-triazin-2-amine (PubChem CID 22174870) has the molecular formula C20H19N7 and a molecular weight of 357.42 g/mol. Its IUPAC name is 4-(4-benzyl-3,5-dimethylpyrazol-1-yl)-6-pyridin-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-benzyl-3,5-dimethylpyrazol-1-yl)-6-pyridin-2-yl-1,3,5-triazin-2-amine
PubChem CID22174870
Molecular FormulaC20H19N7
Molecular Weight357.42 g/mol
Exact Mass357.17
IUPAC Name4-(4-benzyl-3,5-dimethylpyrazol-1-yl)-6-pyridin-2-yl-1,3,5-triazin-2-amine
SMILESCc1nn(-c2nc(N)nc(-c3ccccn3)n2)c(C)c1Cc1ccccc1
InChIInChI=1S/C20H19N7/c1-13-16(12-15-8-4-3-5-9-15)14(2)27(26-13)20-24-18(23-19(21)25-20)17-10-6-7-11-22-17/h3-11H,12H2,1-2H3,(H2,21,23,24,25)
InChIKeyXXYXJTKPTFBPLV-UHFFFAOYSA-N
XLogP2.91
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzyl-3,5-dimethylpyrazol-1-yl)-6-pyridin-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-benzyl-3,5-dimethylpyrazol-1-yl)-6-pyridin-2-yl-1,3,5-triazin-2-amine (CID 22174870) is 4-(4-benzyl-3,5-dimethylpyrazol-1-yl)-6-pyridin-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-benzyl-3,5-dimethylpyrazol-1-yl)-6-pyridin-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-benzyl-3,5-dimethylpyrazol-1-yl)-6-pyridin-2-yl-1,3,5-triazin-2-amine is Cc1nn(-c2nc(N)nc(-c3ccccn3)n2)c(C)c1Cc1ccccc1.
What is the InChIKey of 4-(4-benzyl-3,5-dimethylpyrazol-1-yl)-6-pyridin-2-yl-1,3,5-triazin-2-amine?
The InChIKey is XXYXJTKPTFBPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7/c1-13-16(12-15-8-4-3-5-9-15)14(2)27(26-13)20-24-18(23-19(21)25-20)17-10-6-7-11-22-17/h3-11H,12H2,1-2H3,(H2,21,23,24,25).
What are the key properties of 4-(4-benzyl-3,5-dimethylpyrazol-1-yl)-6-pyridin-2-yl-1,3,5-triazin-2-amine?
4-(4-benzyl-3,5-dimethylpyrazol-1-yl)-6-pyridin-2-yl-1,3,5-triazin-2-amine has a molecular weight of 357.42 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzyl-3,5-dimethylpyrazol-1-yl)-6-pyridin-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 22174870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).