5-[3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-yl]pyridine-2-carbonitrile

C19H17N7 — CID 126567204

IUPAC5-[3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-yl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(-c2cnnc(N3CCN(c4ccccc4)CC3)n2)cn1
InChIInChI=1S/C19H17N7/c20-12-16-7-6-15(13-21-16)18-14-22-24-19(23-18)26-10-8-25(9-11-26)17-4-2-1-3-5-17/h1-7,13-14H,8-11H2
InChIKeyJENFDWZJDZKNET-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.13
Rot. Bonds3

About 5-[3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-yl]pyridine-2-carbonitrile

5-[3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-yl]pyridine-2-carbonitrile (PubChem CID 126567204) has the molecular formula C19H17N7 and a molecular weight of 343.39 g/mol. Its IUPAC name is 5-[3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-yl]pyridine-2-carbonitrile
PubChem CID126567204
Molecular FormulaC19H17N7
Molecular Weight343.39 g/mol
Exact Mass343.15
IUPAC Name5-[3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-yl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(-c2cnnc(N3CCN(c4ccccc4)CC3)n2)cn1
InChIInChI=1S/C19H17N7/c20-12-16-7-6-15(13-21-16)18-14-22-24-19(23-18)26-10-8-25(9-11-26)17-4-2-1-3-5-17/h1-7,13-14H,8-11H2
InChIKeyJENFDWZJDZKNET-UHFFFAOYSA-N
XLogP2.13
TPSA81.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-yl]pyridine-2-carbonitrile (CID 126567204) is 5-[3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-yl]pyridine-2-carbonitrile is N#Cc1ccc(-c2cnnc(N3CCN(c4ccccc4)CC3)n2)cn1.
What is the InChIKey of 5-[3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-yl]pyridine-2-carbonitrile?
The InChIKey is JENFDWZJDZKNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7/c20-12-16-7-6-15(13-21-16)18-14-22-24-19(23-18)26-10-8-25(9-11-26)17-4-2-1-3-5-17/h1-7,13-14H,8-11H2.
What are the key properties of 5-[3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-yl]pyridine-2-carbonitrile?
5-[3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-yl]pyridine-2-carbonitrile has a molecular weight of 343.39 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 126567204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).