5-(azepan-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-3-amine

C17H24N6 — CID 112954718

IUPAC5-(azepan-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-3-amine
SMILESCN(CCc1ccncc1)c1nncc(N2CCCCCC2)n1
InChIInChI=1S/C17H24N6/c1-22(13-8-15-6-9-18-10-7-15)17-20-16(14-19-21-17)23-11-4-2-3-5-12-23/h6-7,9-10,14H,2-5,8,11-13H2,1H3
InChIKeyUETNGBWVYNCLJW-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.33
Rot. Bonds5

About 5-(azepan-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-3-amine

5-(azepan-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-3-amine (PubChem CID 112954718) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is 5-(azepan-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(azepan-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-3-amine
PubChem CID112954718
Molecular FormulaC17H24N6
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC Name5-(azepan-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-3-amine
SMILESCN(CCc1ccncc1)c1nncc(N2CCCCCC2)n1
InChIInChI=1S/C17H24N6/c1-22(13-8-15-6-9-18-10-7-15)17-20-16(14-19-21-17)23-11-4-2-3-5-12-23/h6-7,9-10,14H,2-5,8,11-13H2,1H3
InChIKeyUETNGBWVYNCLJW-UHFFFAOYSA-N
XLogP2.33
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(azepan-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

N-methyl-5-(4-phenylpiperazin-1-yl)-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-3-amine
CID 112954689
1-[4-[3-[methyl(2-pyridin-4-ylethyl)amino]-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone
CID 112946858
N-butyl-N-methyl-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941878
N,2-dimethyl-6-piperidin-1-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 112868823
5-N-cyclopropyl-3-N-methyl-3-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112939132
5-(azepan-1-yl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine
CID 112952675
5-N-[2-(dimethylamino)ethyl]-3-N-methyl-3-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112944740
3-N-methyl-5-N-(2-morpholin-4-ylphenyl)-3-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112954784
N-butyl-N-methyl-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112945834
[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249940
3-N-methyl-5-N-(4-methylphenyl)-3-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112954722
4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
CID 112895723

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(azepan-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-3-amine (CID 112954718) is 5-(azepan-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(azepan-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(azepan-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-3-amine is CN(CCc1ccncc1)c1nncc(N2CCCCCC2)n1.
What is the InChIKey of 5-(azepan-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-3-amine?
The InChIKey is UETNGBWVYNCLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6/c1-22(13-8-15-6-9-18-10-7-15)17-20-16(14-19-21-17)23-11-4-2-3-5-12-23/h6-7,9-10,14H,2-5,8,11-13H2,1H3.
What are the key properties of 5-(azepan-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-3-amine?
5-(azepan-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-3-amine has a molecular weight of 312.42 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112954718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).