5-(4-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)-1,2,4-triazin-3-amine

C15H20N6 — CID 112942587

IUPAC5-(4-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)-1,2,4-triazin-3-amine
SMILESCC1CCN(c2cnnc(NCc3cccnc3)n2)CC1
InChIInChI=1S/C15H20N6/c1-12-4-7-21(8-5-12)14-11-18-20-15(19-14)17-10-13-3-2-6-16-9-13/h2-3,6,9,11-12H,4-5,7-8,10H2,1H3,(H,17,19,20)
InChIKeyUWNJVQCICPUXAD-UHFFFAOYSA-N
MW284.37 g/mol
LogP2.12
Rot. Bonds4

About 5-(4-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)-1,2,4-triazin-3-amine

5-(4-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)-1,2,4-triazin-3-amine (PubChem CID 112942587) has the molecular formula C15H20N6 and a molecular weight of 284.37 g/mol. Its IUPAC name is 5-(4-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(4-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)-1,2,4-triazin-3-amine
PubChem CID112942587
Molecular FormulaC15H20N6
Molecular Weight284.37 g/mol
Exact Mass284.17
IUPAC Name5-(4-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)-1,2,4-triazin-3-amine
SMILESCC1CCN(c2cnnc(NCc3cccnc3)n2)CC1
InChIInChI=1S/C15H20N6/c1-12-4-7-21(8-5-12)14-11-18-20-15(19-14)17-10-13-3-2-6-16-9-13/h2-3,6,9,11-12H,4-5,7-8,10H2,1H3,(H,17,19,20)
InChIKeyUWNJVQCICPUXAD-UHFFFAOYSA-N
XLogP2.12
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(pyridin-3-ylmethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112952345
5-(4-methylpiperidin-1-yl)-N-propyl-1,2,4-triazin-3-amine
CID 112938499
1-[4-(azepan-1-yl)-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]-3-(pyridin-3-ylmethyl)thiourea
CID 100782343
5-(4-methylpiperidin-1-yl)-N-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-amine
CID 112942710
5-(azepan-1-yl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine
CID 112952675
5-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-3-amine
CID 112951205
N-(2,6-dichlorophenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112942732
6-methyl-4-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919678
5-(4-benzylpiperidin-1-yl)-N-[(4-chlorophenyl)methyl]-1,2,4-triazin-3-amine
CID 112950640
N-(3,5-dimethylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112942649
N-(3,4-dichlorophenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112942728
N-(3,4-dimethylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112942648

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(4-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)-1,2,4-triazin-3-amine (CID 112942587) is 5-(4-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(4-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(4-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)-1,2,4-triazin-3-amine is CC1CCN(c2cnnc(NCc3cccnc3)n2)CC1.
What is the InChIKey of 5-(4-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)-1,2,4-triazin-3-amine?
The InChIKey is UWNJVQCICPUXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6/c1-12-4-7-21(8-5-12)14-11-18-20-15(19-14)17-10-13-3-2-6-16-9-13/h2-3,6,9,11-12H,4-5,7-8,10H2,1H3,(H,17,19,20).
What are the key properties of 5-(4-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)-1,2,4-triazin-3-amine?
5-(4-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)-1,2,4-triazin-3-amine has a molecular weight of 284.37 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112942587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).