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

C16H21N5 — CID 112961359

IUPAC3-(azepan-1-yl)-N-methyl-N-phenyl-1,2,4-triazin-5-amine
SMILESCN(c1ccccc1)c1cnnc(N2CCCCCC2)n1
InChIInChI=1S/C16H21N5/c1-20(14-9-5-4-6-10-14)15-13-17-19-16(18-15)21-11-7-2-3-8-12-21/h4-6,9-10,13H,2-3,7-8,11-12H2,1H3
InChIKeyPIUZGKBJTQYELA-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.02
Rot. Bonds3

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

3-(azepan-1-yl)-N-methyl-N-phenyl-1,2,4-triazin-5-amine (PubChem CID 112961359) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-(azepan-1-yl)-N-methyl-N-phenyl-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-(azepan-1-yl)-N-methyl-N-phenyl-1,2,4-triazin-5-amine
PubChem CID112961359
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name3-(azepan-1-yl)-N-methyl-N-phenyl-1,2,4-triazin-5-amine
SMILESCN(c1ccccc1)c1cnnc(N2CCCCCC2)n1
InChIInChI=1S/C16H21N5/c1-20(14-9-5-4-6-10-14)15-13-17-19-16(18-15)21-11-7-2-3-8-12-21/h4-6,9-10,13H,2-3,7-8,11-12H2,1H3
InChIKeyPIUZGKBJTQYELA-UHFFFAOYSA-N
XLogP3.02
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-(3-methylpiperidin-1-yl)-N-phenyl-1,2,4-triazin-5-amine
CID 112960710
N-methyl-N-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112957952
5-phenyl-3-pyrrolidin-1-yl-1,2,4-triazine
CID 6401202
N-benzyl-3-(4-methylpiperazin-1-yl)-N-phenyl-1,2,4-triazin-5-amine
CID 112946090
3-(azepan-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,4-triazin-5-amine
CID 112955110
1-[3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-yl]azepane
CID 112955538
N-benzyl-N-methyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112949228
N-benzyl-N-methyl-3-morpholin-4-yl-1,2,4-triazin-5-amine
CID 30298525
N-butyl-N-methyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112955533
N-methyl-N-phenyl-4-piperidin-1-ylpyrimidin-2-amine
CID 112884516
1-(5-pyrrolidin-1-yl-1,2,4-triazin-3-yl)azepane
CID 112941121
1-[4-[4-(N-methylanilino)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112889034

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-yl)-N-methyl-N-phenyl-1,2,4-triazin-5-amine?
The IUPAC name of 3-(azepan-1-yl)-N-methyl-N-phenyl-1,2,4-triazin-5-amine (CID 112961359) is 3-(azepan-1-yl)-N-methyl-N-phenyl-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-(azepan-1-yl)-N-methyl-N-phenyl-1,2,4-triazin-5-amine?
The canonical SMILES for 3-(azepan-1-yl)-N-methyl-N-phenyl-1,2,4-triazin-5-amine is CN(c1ccccc1)c1cnnc(N2CCCCCC2)n1.
What is the InChIKey of 3-(azepan-1-yl)-N-methyl-N-phenyl-1,2,4-triazin-5-amine?
The InChIKey is PIUZGKBJTQYELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-20(14-9-5-4-6-10-14)15-13-17-19-16(18-15)21-11-7-2-3-8-12-21/h4-6,9-10,13H,2-3,7-8,11-12H2,1H3.
What are the key properties of 3-(azepan-1-yl)-N-methyl-N-phenyl-1,2,4-triazin-5-amine?
3-(azepan-1-yl)-N-methyl-N-phenyl-1,2,4-triazin-5-amine has a molecular weight of 283.38 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-yl)-N-methyl-N-phenyl-1,2,4-triazin-5-amine is sourced from PubChem (CID 112961359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).