5-(2,6-dimethoxyphenyl)-3-[(3R)-3-propoxypiperidin-1-yl]-1,2,4-triazine

C19H26N4O3 — CID 25309642

IUPAC5-(2,6-dimethoxyphenyl)-3-[(3R)-3-propoxypiperidin-1-yl]-1,2,4-triazine
SMILESCCCO[C@@H]1CCCN(c2nncc(-c3c(OC)cccc3OC)n2)C1
InChIInChI=1S/C19H26N4O3/c1-4-11-26-14-7-6-10-23(13-14)19-21-15(12-20-22-19)18-16(24-2)8-5-9-17(18)25-3/h5,8-9,12,14H,4,6-7,10-11,13H2,1-3H3/t14-/m1/s1
InChIKeyNTZARZHFAQRIMU-CQSZACIVSA-N
MW358.44 g/mol
LogP2.95
Rot. Bonds7

About 5-(2,6-dimethoxyphenyl)-3-[(3R)-3-propoxypiperidin-1-yl]-1,2,4-triazine

5-(2,6-dimethoxyphenyl)-3-[(3R)-3-propoxypiperidin-1-yl]-1,2,4-triazine (PubChem CID 25309642) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 5-(2,6-dimethoxyphenyl)-3-[(3R)-3-propoxypiperidin-1-yl]-1,2,4-triazine.

Molecular Properties

Compound Name5-(2,6-dimethoxyphenyl)-3-[(3R)-3-propoxypiperidin-1-yl]-1,2,4-triazine
PubChem CID25309642
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name5-(2,6-dimethoxyphenyl)-3-[(3R)-3-propoxypiperidin-1-yl]-1,2,4-triazine
SMILESCCCO[C@@H]1CCCN(c2nncc(-c3c(OC)cccc3OC)n2)C1
InChIInChI=1S/C19H26N4O3/c1-4-11-26-14-7-6-10-23(13-14)19-21-15(12-20-22-19)18-16(24-2)8-5-9-17(18)25-3/h5,8-9,12,14H,4,6-7,10-11,13H2,1-3H3/t14-/m1/s1
InChIKeyNTZARZHFAQRIMU-CQSZACIVSA-N
XLogP2.95
TPSA69.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-naphthalen-2-yl-3-[(3R)-3-propoxypiperidin-1-yl]-1,2,4-triazine
CID 42525848
6-(3-propoxypiperidin-1-yl)pyridine-2-carboxylic acid
CID 62239893
5-(2,6-dimethoxyphenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1,2,4-triazin-3-amine
CID 26330376
3-[(3R)-3-(methoxymethyl)piperidin-1-yl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazine
CID 42595056
5-(3-chlorophenyl)-3-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,2,4-triazine
CID 25287947
3-chloro-6-(3-propoxypiperidin-1-yl)pyridazine
CID 54989826
4-(chloromethyl)-6-methyl-2-(3-propoxypiperidin-1-yl)pyrimidine
CID 114220020
N-methyl-1-[6-(3-propoxypiperidin-1-yl)pyrazin-2-yl]methanamine
CID 66451853
6-(3-propoxypiperidin-1-yl)pyrazine-2-carboxylic acid
CID 66450862
4-(chloromethyl)-2-(3-propoxypiperidin-1-yl)-1,3-thiazole
CID 54989651
5-(1-benzofuran-2-yl)-3-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,2,4-triazine
CID 42291886
2-bromo-5-(3-propoxypiperidin-1-yl)-1,3,4-thiadiazole
CID 64624316

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethoxyphenyl)-3-[(3R)-3-propoxypiperidin-1-yl]-1,2,4-triazine?
The IUPAC name of 5-(2,6-dimethoxyphenyl)-3-[(3R)-3-propoxypiperidin-1-yl]-1,2,4-triazine (CID 25309642) is 5-(2,6-dimethoxyphenyl)-3-[(3R)-3-propoxypiperidin-1-yl]-1,2,4-triazine.
What is the SMILES notation for 5-(2,6-dimethoxyphenyl)-3-[(3R)-3-propoxypiperidin-1-yl]-1,2,4-triazine?
The canonical SMILES for 5-(2,6-dimethoxyphenyl)-3-[(3R)-3-propoxypiperidin-1-yl]-1,2,4-triazine is CCCO[C@@H]1CCCN(c2nncc(-c3c(OC)cccc3OC)n2)C1.
What is the InChIKey of 5-(2,6-dimethoxyphenyl)-3-[(3R)-3-propoxypiperidin-1-yl]-1,2,4-triazine?
The InChIKey is NTZARZHFAQRIMU-CQSZACIVSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-4-11-26-14-7-6-10-23(13-14)19-21-15(12-20-22-19)18-16(24-2)8-5-9-17(18)25-3/h5,8-9,12,14H,4,6-7,10-11,13H2,1-3H3/t14-/m1/s1.
What are the key properties of 5-(2,6-dimethoxyphenyl)-3-[(3R)-3-propoxypiperidin-1-yl]-1,2,4-triazine?
5-(2,6-dimethoxyphenyl)-3-[(3R)-3-propoxypiperidin-1-yl]-1,2,4-triazine has a molecular weight of 358.44 g/mol, XLogP of 2.95, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethoxyphenyl)-3-[(3R)-3-propoxypiperidin-1-yl]-1,2,4-triazine is sourced from PubChem (CID 25309642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).