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

C18H25N5O — CID 112951064

IUPAC3-(2-ethylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-5-amine
SMILESCCC1CCCCN1c1nncc(NCc2ccc(OC)cc2)n1
InChIInChI=1S/C18H25N5O/c1-3-15-6-4-5-11-23(15)18-21-17(13-20-22-18)19-12-14-7-9-16(24-2)10-8-14/h7-10,13,15H,3-6,11-12H2,1-2H3,(H,19,21,22)
InChIKeyFCLWOGSRVDJRRQ-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.26
Rot. Bonds6

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

3-(2-ethylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-5-amine (PubChem CID 112951064) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-(2-ethylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-(2-ethylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-5-amine
PubChem CID112951064
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name3-(2-ethylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-5-amine
SMILESCCC1CCCCN1c1nncc(NCc2ccc(OC)cc2)n1
InChIInChI=1S/C18H25N5O/c1-3-15-6-4-5-11-23(15)18-21-17(13-20-22-18)19-12-14-7-9-16(24-2)10-8-14/h7-10,13,15H,3-6,11-12H2,1-2H3,(H,19,21,22)
InChIKeyFCLWOGSRVDJRRQ-UHFFFAOYSA-N
XLogP3.26
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112947575
3-(2-ethylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-5-amine
CID 112952514
3-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-1,2,4-triazin-5-amine
CID 112953404
N-butan-2-yl-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112940731
3-(2-ethylpiperidin-1-yl)-N-(4-fluorophenyl)-1,2,4-triazin-5-amine
CID 112960507
N-[(4-methoxyphenyl)methyl]-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112951053
2-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidin-4-amine
CID 112917516
2-(2-ethylpiperidin-1-yl)-6-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 112919761
3-(2-ethylpiperidin-1-yl)-N-(2-fluorophenyl)-1,2,4-triazin-5-amine
CID 112960506
N-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 113030692
N-(3-bromo-4-methylphenyl)-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112960520
N-[(3,4-dimethoxyphenyl)methyl]-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine
CID 112862577

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-5-amine?
The IUPAC name of 3-(2-ethylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-5-amine (CID 112951064) is 3-(2-ethylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-(2-ethylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-5-amine?
The canonical SMILES for 3-(2-ethylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-5-amine is CCC1CCCCN1c1nncc(NCc2ccc(OC)cc2)n1.
What is the InChIKey of 3-(2-ethylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-5-amine?
The InChIKey is FCLWOGSRVDJRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-3-15-6-4-5-11-23(15)18-21-17(13-20-22-18)19-12-14-7-9-16(24-2)10-8-14/h7-10,13,15H,3-6,11-12H2,1-2H3,(H,19,21,22).
What are the key properties of 3-(2-ethylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-5-amine?
3-(2-ethylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-5-amine has a molecular weight of 327.43 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-5-amine is sourced from PubChem (CID 112951064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).