6-phenyl-3-pyridin-2-yl-5-(4-pyridin-4-ylpiperazin-1-yl)-1,2,4-triazine

C23H21N7 — CID 45099949

IUPAC6-phenyl-3-pyridin-2-yl-5-(4-pyridin-4-ylpiperazin-1-yl)-1,2,4-triazine
SMILESc1ccc(-c2nnc(-c3ccccn3)nc2N2CCN(c3ccncc3)CC2)cc1
InChIInChI=1S/C23H21N7/c1-2-6-18(7-3-1)21-23(26-22(28-27-21)20-8-4-5-11-25-20)30-16-14-29(15-17-30)19-9-12-24-13-10-19/h1-13H,14-17H2
InChIKeyPHBSODZJDFCTAJ-UHFFFAOYSA-N
MW395.47 g/mol
LogP3.32
Rot. Bonds4

About 6-phenyl-3-pyridin-2-yl-5-(4-pyridin-4-ylpiperazin-1-yl)-1,2,4-triazine

6-phenyl-3-pyridin-2-yl-5-(4-pyridin-4-ylpiperazin-1-yl)-1,2,4-triazine (PubChem CID 45099949) has the molecular formula C23H21N7 and a molecular weight of 395.47 g/mol. Its IUPAC name is 6-phenyl-3-pyridin-2-yl-5-(4-pyridin-4-ylpiperazin-1-yl)-1,2,4-triazine.

Molecular Properties

Compound Name6-phenyl-3-pyridin-2-yl-5-(4-pyridin-4-ylpiperazin-1-yl)-1,2,4-triazine
PubChem CID45099949
Molecular FormulaC23H21N7
Molecular Weight395.47 g/mol
Exact Mass395.19
IUPAC Name6-phenyl-3-pyridin-2-yl-5-(4-pyridin-4-ylpiperazin-1-yl)-1,2,4-triazine
SMILESc1ccc(-c2nnc(-c3ccccn3)nc2N2CCN(c3ccncc3)CC2)cc1
InChIInChI=1S/C23H21N7/c1-2-6-18(7-3-1)21-23(26-22(28-27-21)20-8-4-5-11-25-20)30-16-14-29(15-17-30)19-9-12-24-13-10-19/h1-13H,14-17H2
InChIKeyPHBSODZJDFCTAJ-UHFFFAOYSA-N
XLogP3.32
TPSA70.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-6-phenyl-3-pyridin-2-yl-1,2,4-triazine
CID 14642993
5-methoxy-6-phenyl-3-pyridin-2-yl-1,2,4-triazine
CID 6405145
3-(2-fluorophenyl)-6-phenyl-5-piperidin-1-yl-1,2,4-triazine
CID 45035403
2,4-dipyridin-2-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 144765788
4-(3,6-diphenyl-1,2,4-triazin-5-yl)-2,6-dimethylmorpholine
CID 6415168
2-pyridin-2-yl-4-pyridin-4-yl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine
CID 144765683
2-pyridin-4-ylpyridine;dihydrochloride
CID 173206035
2-pyridin-2-yl-4-(4-pyridin-2-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 144765773
4-(2-phenyl-5-pyridin-4-ylpyrimidin-4-yl)morpholine
CID 110172397
2-[2-(4-pyridin-4-ylphenyl)tetrazol-5-yl]pyridine
CID 68616100
4-(4-benzhydrylpiperazin-1-yl)-6-pyridin-2-yl-2-pyridin-4-ylpyrimidine
CID 3525048
6-phenyl-3-pyridin-2-yl-1,2,4-triazine
CID 6405118

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-3-pyridin-2-yl-5-(4-pyridin-4-ylpiperazin-1-yl)-1,2,4-triazine?
The IUPAC name of 6-phenyl-3-pyridin-2-yl-5-(4-pyridin-4-ylpiperazin-1-yl)-1,2,4-triazine (CID 45099949) is 6-phenyl-3-pyridin-2-yl-5-(4-pyridin-4-ylpiperazin-1-yl)-1,2,4-triazine.
What is the SMILES notation for 6-phenyl-3-pyridin-2-yl-5-(4-pyridin-4-ylpiperazin-1-yl)-1,2,4-triazine?
The canonical SMILES for 6-phenyl-3-pyridin-2-yl-5-(4-pyridin-4-ylpiperazin-1-yl)-1,2,4-triazine is c1ccc(-c2nnc(-c3ccccn3)nc2N2CCN(c3ccncc3)CC2)cc1.
What is the InChIKey of 6-phenyl-3-pyridin-2-yl-5-(4-pyridin-4-ylpiperazin-1-yl)-1,2,4-triazine?
The InChIKey is PHBSODZJDFCTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7/c1-2-6-18(7-3-1)21-23(26-22(28-27-21)20-8-4-5-11-25-20)30-16-14-29(15-17-30)19-9-12-24-13-10-19/h1-13H,14-17H2.
What are the key properties of 6-phenyl-3-pyridin-2-yl-5-(4-pyridin-4-ylpiperazin-1-yl)-1,2,4-triazine?
6-phenyl-3-pyridin-2-yl-5-(4-pyridin-4-ylpiperazin-1-yl)-1,2,4-triazine has a molecular weight of 395.47 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-3-pyridin-2-yl-5-(4-pyridin-4-ylpiperazin-1-yl)-1,2,4-triazine is sourced from PubChem (CID 45099949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).