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

C21H23N5O — CID 112942724

IUPAC5-(4-methylpiperidin-1-yl)-N-(2-phenoxyphenyl)-1,2,4-triazin-3-amine
SMILESCC1CCN(c2cnnc(Nc3ccccc3Oc3ccccc3)n2)CC1
InChIInChI=1S/C21H23N5O/c1-16-11-13-26(14-12-16)20-15-22-25-21(24-20)23-18-9-5-6-10-19(18)27-17-7-3-2-4-8-17/h2-10,15-16H,11-14H2,1H3,(H,23,24,25)
InChIKeyOHOKVFVVDKYPLN-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.64
Rot. Bonds5

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

5-(4-methylpiperidin-1-yl)-N-(2-phenoxyphenyl)-1,2,4-triazin-3-amine (PubChem CID 112942724) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 5-(4-methylpiperidin-1-yl)-N-(2-phenoxyphenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(4-methylpiperidin-1-yl)-N-(2-phenoxyphenyl)-1,2,4-triazin-3-amine
PubChem CID112942724
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name5-(4-methylpiperidin-1-yl)-N-(2-phenoxyphenyl)-1,2,4-triazin-3-amine
SMILESCC1CCN(c2cnnc(Nc3ccccc3Oc3ccccc3)n2)CC1
InChIInChI=1S/C21H23N5O/c1-16-11-13-26(14-12-16)20-15-22-25-21(24-20)23-18-9-5-6-10-19(18)27-17-7-3-2-4-8-17/h2-10,15-16H,11-14H2,1H3,(H,23,24,25)
InChIKeyOHOKVFVVDKYPLN-UHFFFAOYSA-N
XLogP4.64
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[[5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-yl]amino]benzoate
CID 112942696
2-methyl-6-(4-methylpiperidin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-4-amine
CID 112869302
5-(4-methylpiperidin-1-yl)-N-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-amine
CID 112942710
N-(3-chloro-2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112942668
N-(2,6-dichlorophenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112942732
5-(4-methylpiperidin-1-yl)-N-(2,3,4-trifluorophenyl)-1,2,4-triazin-3-amine
CID 112942742
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
5-N-(2-methoxyphenyl)-3-N-(2-phenoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967105
N-(2-phenoxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883965
4-(4-ethylpiperazin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-2-amine
CID 112888352

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperidin-1-yl)-N-(2-phenoxyphenyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(4-methylpiperidin-1-yl)-N-(2-phenoxyphenyl)-1,2,4-triazin-3-amine (CID 112942724) is 5-(4-methylpiperidin-1-yl)-N-(2-phenoxyphenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(4-methylpiperidin-1-yl)-N-(2-phenoxyphenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(4-methylpiperidin-1-yl)-N-(2-phenoxyphenyl)-1,2,4-triazin-3-amine is CC1CCN(c2cnnc(Nc3ccccc3Oc3ccccc3)n2)CC1.
What is the InChIKey of 5-(4-methylpiperidin-1-yl)-N-(2-phenoxyphenyl)-1,2,4-triazin-3-amine?
The InChIKey is OHOKVFVVDKYPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-16-11-13-26(14-12-16)20-15-22-25-21(24-20)23-18-9-5-6-10-19(18)27-17-7-3-2-4-8-17/h2-10,15-16H,11-14H2,1H3,(H,23,24,25).
What are the key properties of 5-(4-methylpiperidin-1-yl)-N-(2-phenoxyphenyl)-1,2,4-triazin-3-amine?
5-(4-methylpiperidin-1-yl)-N-(2-phenoxyphenyl)-1,2,4-triazin-3-amine has a molecular weight of 361.45 g/mol, XLogP of 4.64, 5 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-(2-phenoxyphenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112942724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).