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

C18H25N7 — CID 112942806

IUPAC3-(4-methylpiperidin-1-yl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazine
SMILESCC1CCN(c2nncc(N3CCN(c4ccccn4)CC3)n2)CC1
InChIInChI=1S/C18H25N7/c1-15-5-8-25(9-6-15)18-21-17(14-20-22-18)24-12-10-23(11-13-24)16-4-2-3-7-19-16/h2-4,7,14-15H,5-6,8-13H2,1H3
InChIKeyQBPJZCNKOVKVIV-UHFFFAOYSA-N
MW339.45 g/mol
LogP1.83
Rot. Bonds3

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

3-(4-methylpiperidin-1-yl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazine (PubChem CID 112942806) has the molecular formula C18H25N7 and a molecular weight of 339.45 g/mol. Its IUPAC name is 3-(4-methylpiperidin-1-yl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazine.

Molecular Properties

Compound Name3-(4-methylpiperidin-1-yl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazine
PubChem CID112942806
Molecular FormulaC18H25N7
Molecular Weight339.45 g/mol
Exact Mass339.22
IUPAC Name3-(4-methylpiperidin-1-yl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazine
SMILESCC1CCN(c2nncc(N3CCN(c4ccccn4)CC3)n2)CC1
InChIInChI=1S/C18H25N7/c1-15-5-8-25(9-6-15)18-21-17(14-20-22-18)24-12-10-23(11-13-24)16-4-2-3-7-19-16/h2-4,7,14-15H,5-6,8-13H2,1H3
InChIKeyQBPJZCNKOVKVIV-UHFFFAOYSA-N
XLogP1.83
TPSA61.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(4-methylpiperidin-1-yl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazine with MolForge

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Related Compounds

4-[5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-yl]morpholine
CID 30298653
N,N-diethyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112957935
2-[5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-yl]-3,4-dihydro-1H-isoquinoline
CID 112942590
N-butan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112940718
N-methyl-N-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112957952
N-(3-methylbutyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112957940
(4-methylpiperidin-1-yl)-[5-(4-pyridin-2-ylpiperazin-1-yl)pyrazin-2-yl]methanone
CID 109275060
5-(4-benzylpiperidin-1-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine
CID 112946013
N-benzyl-N-ethyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112951722
(4-methylpiperidin-1-yl)-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]methanone
CID 109113370
3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 151535013
N-(2-tert-butylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112957970

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidin-1-yl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazine?
The IUPAC name of 3-(4-methylpiperidin-1-yl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazine (CID 112942806) is 3-(4-methylpiperidin-1-yl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazine.
What is the SMILES notation for 3-(4-methylpiperidin-1-yl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazine?
The canonical SMILES for 3-(4-methylpiperidin-1-yl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazine is CC1CCN(c2nncc(N3CCN(c4ccccn4)CC3)n2)CC1.
What is the InChIKey of 3-(4-methylpiperidin-1-yl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazine?
The InChIKey is QBPJZCNKOVKVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7/c1-15-5-8-25(9-6-15)18-21-17(14-20-22-18)24-12-10-23(11-13-24)16-4-2-3-7-19-16/h2-4,7,14-15H,5-6,8-13H2,1H3.
What are the key properties of 3-(4-methylpiperidin-1-yl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazine?
3-(4-methylpiperidin-1-yl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazine has a molecular weight of 339.45 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidin-1-yl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazine is sourced from PubChem (CID 112942806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).