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

C14H24N6 — CID 112945837

IUPAC5-(4-methylpiperazin-1-yl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazine
SMILESCC1CCCN(c2nncc(N3CCN(C)CC3)n2)C1
InChIInChI=1S/C14H24N6/c1-12-4-3-5-20(11-12)14-16-13(10-15-17-14)19-8-6-18(2)7-9-19/h10,12H,3-9,11H2,1-2H3
InChIKeyHYGQSYOQLLBMCR-UHFFFAOYSA-N
MW276.39 g/mol
LogP0.86
Rot. Bonds2

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

5-(4-methylpiperazin-1-yl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazine (PubChem CID 112945837) has the molecular formula C14H24N6 and a molecular weight of 276.39 g/mol. Its IUPAC name is 5-(4-methylpiperazin-1-yl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazine.

Molecular Properties

Compound Name5-(4-methylpiperazin-1-yl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazine
PubChem CID112945837
Molecular FormulaC14H24N6
Molecular Weight276.39 g/mol
Exact Mass276.21
IUPAC Name5-(4-methylpiperazin-1-yl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazine
SMILESCC1CCCN(c2nncc(N3CCN(C)CC3)n2)C1
InChIInChI=1S/C14H24N6/c1-12-4-3-5-20(11-12)14-16-13(10-15-17-14)19-8-6-18(2)7-9-19/h10,12H,3-9,11H2,1-2H3
InChIKeyHYGQSYOQLLBMCR-UHFFFAOYSA-N
XLogP0.86
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-butan-2-yl-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112940732
N,N-diethyl-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112958320
1-(5-pyrrolidin-1-yl-1,2,4-triazin-3-yl)azepane
CID 112941121
N-methyl-3-(3-methylpiperidin-1-yl)-N-phenyl-1,2,4-triazin-5-amine
CID 112960710
5-(4-benzylpiperidin-1-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine
CID 112946013
N-[2,6-di(propan-2-yl)phenyl]-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112960786
4-[5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-yl]morpholine
CID 30298653
4-methyl-2-(3-methylpiperidin-1-yl)-6-(4-methylpiperidin-1-yl)pyrimidine
CID 112910746
2-(3-methylpiperidin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidine
CID 112885128
N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112948593
N-(2-bromophenyl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112960779
3-(4-benzylpiperazin-1-yl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazine
CID 112945803

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazin-1-yl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazine?
The IUPAC name of 5-(4-methylpiperazin-1-yl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazine (CID 112945837) is 5-(4-methylpiperazin-1-yl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazine.
What is the SMILES notation for 5-(4-methylpiperazin-1-yl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazine?
The canonical SMILES for 5-(4-methylpiperazin-1-yl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazine is CC1CCCN(c2nncc(N3CCN(C)CC3)n2)C1.
What is the InChIKey of 5-(4-methylpiperazin-1-yl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazine?
The InChIKey is HYGQSYOQLLBMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6/c1-12-4-3-5-20(11-12)14-16-13(10-15-17-14)19-8-6-18(2)7-9-19/h10,12H,3-9,11H2,1-2H3.
What are the key properties of 5-(4-methylpiperazin-1-yl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazine?
5-(4-methylpiperazin-1-yl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazine has a molecular weight of 276.39 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazin-1-yl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazine is sourced from PubChem (CID 112945837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).