N-[2-(3-methoxyphenyl)ethyl]-5-piperidin-1-yl-1,2,4-triazin-3-amine

C17H23N5O — CID 112941842

IUPACN-[2-(3-methoxyphenyl)ethyl]-5-piperidin-1-yl-1,2,4-triazin-3-amine
SMILESCOc1cccc(CCNc2nncc(N3CCCCC3)n2)c1
InChIInChI=1S/C17H23N5O/c1-23-15-7-5-6-14(12-15)8-9-18-17-20-16(13-19-21-17)22-10-3-2-4-11-22/h5-7,12-13H,2-4,8-11H2,1H3,(H,18,20,21)
InChIKeyYTKGULBUGASJTK-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.53
Rot. Bonds6

About N-[2-(3-methoxyphenyl)ethyl]-5-piperidin-1-yl-1,2,4-triazin-3-amine

N-[2-(3-methoxyphenyl)ethyl]-5-piperidin-1-yl-1,2,4-triazin-3-amine (PubChem CID 112941842) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-5-piperidin-1-yl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-5-piperidin-1-yl-1,2,4-triazin-3-amine
PubChem CID112941842
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-5-piperidin-1-yl-1,2,4-triazin-3-amine
SMILESCOc1cccc(CCNc2nncc(N3CCCCC3)n2)c1
InChIInChI=1S/C17H23N5O/c1-23-15-7-5-6-14(12-15)8-9-18-17-20-16(13-19-21-17)22-10-3-2-4-11-22/h5-7,12-13H,2-4,8-11H2,1H3,(H,18,20,21)
InChIKeyYTKGULBUGASJTK-UHFFFAOYSA-N
XLogP2.53
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112954228
N-[2-(3-methoxyphenyl)ethyl]-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112954235
5-(azepan-1-yl)-N-(2-phenylethyl)-1,2,4-triazin-3-amine
CID 112952983
N-[2-(3-methoxyphenyl)ethyl]-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934109
5-N-butyl-3-N-[2-(3-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112939915
5-N-[2-(3-methoxyphenyl)ethyl]-3-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112954114
N-(2-methoxyethyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941809
5-(azepan-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-1,2,4-triazin-3-amine
CID 112956396
N-[2-(3-methoxyphenyl)ethyl]-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112895248
5-N-(2,6-diethylphenyl)-3-N-[2-(3-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112954270
3-N-[2-(3-methoxyphenyl)ethyl]-5-N-(3-methylbutyl)-1,2,4-triazine-3,5-diamine
CID 112954242
5-(4-ethylpiperazin-1-yl)-N-(2-phenylethyl)-1,2,4-triazin-3-amine
CID 112946149

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-5-piperidin-1-yl-1,2,4-triazin-3-amine?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-5-piperidin-1-yl-1,2,4-triazin-3-amine (CID 112941842) is N-[2-(3-methoxyphenyl)ethyl]-5-piperidin-1-yl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-5-piperidin-1-yl-1,2,4-triazin-3-amine?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-5-piperidin-1-yl-1,2,4-triazin-3-amine is COc1cccc(CCNc2nncc(N3CCCCC3)n2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-5-piperidin-1-yl-1,2,4-triazin-3-amine?
The InChIKey is YTKGULBUGASJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-23-15-7-5-6-14(12-15)8-9-18-17-20-16(13-19-21-17)22-10-3-2-4-11-22/h5-7,12-13H,2-4,8-11H2,1H3,(H,18,20,21).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-5-piperidin-1-yl-1,2,4-triazin-3-amine?
N-[2-(3-methoxyphenyl)ethyl]-5-piperidin-1-yl-1,2,4-triazin-3-amine has a molecular weight of 313.40 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-5-piperidin-1-yl-1,2,4-triazin-3-amine is sourced from PubChem (CID 112941842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).