5-(2,6-dimethoxyphenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1,2,4-triazin-3-amine

C18H25N5O2 — CID 26330376

IUPAC5-(2,6-dimethoxyphenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1,2,4-triazin-3-amine
SMILESCCN1CCC[C@@H]1CNc1nncc(-c2c(OC)cccc2OC)n1
InChIInChI=1S/C18H25N5O2/c1-4-23-10-6-7-13(23)11-19-18-21-14(12-20-22-18)17-15(24-2)8-5-9-16(17)25-3/h5,8-9,12-13H,4,6-7,10-11H2,1-3H3,(H,19,21,22)/t13-/m1/s1
InChIKeyLGWUOLWFWGQMGZ-CYBMUJFWSA-N
MW343.43 g/mol
LogP2.45
Rot. Bonds7

About 5-(2,6-dimethoxyphenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1,2,4-triazin-3-amine

5-(2,6-dimethoxyphenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1,2,4-triazin-3-amine (PubChem CID 26330376) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 5-(2,6-dimethoxyphenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(2,6-dimethoxyphenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1,2,4-triazin-3-amine
PubChem CID26330376
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name5-(2,6-dimethoxyphenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1,2,4-triazin-3-amine
SMILESCCN1CCC[C@@H]1CNc1nncc(-c2c(OC)cccc2OC)n1
InChIInChI=1S/C18H25N5O2/c1-4-23-10-6-7-13(23)11-19-18-21-14(12-20-22-18)17-15(24-2)8-5-9-16(17)25-3/h5,8-9,12-13H,4,6-7,10-11H2,1-3H3,(H,19,21,22)/t13-/m1/s1
InChIKeyLGWUOLWFWGQMGZ-CYBMUJFWSA-N
XLogP2.45
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(2,6-dimethoxyphenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1,2,4-triazin-3-amine with MolForge

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Related Compounds

5-(2,6-dimethoxyphenyl)-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-3-amine
CID 42507959
2-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-2,5-diamine
CID 61146431
4-N-cycloheptyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-[(3-iodo-4-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 11342231
5-(2,6-dimethoxyphenyl)-3-[(3R)-3-propoxypiperidin-1-yl]-1,2,4-triazine
CID 25309642
6-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-(3-fluoro-4-methoxyphenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
CID 142961089
N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine
CID 51628251
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyridin-2-amine
CID 61312935
6-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-(3-fluoro-4-methoxyphenyl)-2-N-(trifluoromethyl)-1,3,5-triazine-2,4,6-triamine
CID 69485046
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(2-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 92726579
3-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxybenzene-1,3-diamine
CID 80723151
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,5-dimethoxybenzenesulfonamide
CID 95571348
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methoxyphenyl)oxamide
CID 2206007

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethoxyphenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5-(2,6-dimethoxyphenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1,2,4-triazin-3-amine (CID 26330376) is 5-(2,6-dimethoxyphenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(2,6-dimethoxyphenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(2,6-dimethoxyphenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1,2,4-triazin-3-amine is CCN1CCC[C@@H]1CNc1nncc(-c2c(OC)cccc2OC)n1.
What is the InChIKey of 5-(2,6-dimethoxyphenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1,2,4-triazin-3-amine?
The InChIKey is LGWUOLWFWGQMGZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-4-23-10-6-7-13(23)11-19-18-21-14(12-20-22-18)17-15(24-2)8-5-9-16(17)25-3/h5,8-9,12-13H,4,6-7,10-11H2,1-3H3,(H,19,21,22)/t13-/m1/s1.
What are the key properties of 5-(2,6-dimethoxyphenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1,2,4-triazin-3-amine?
5-(2,6-dimethoxyphenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1,2,4-triazin-3-amine has a molecular weight of 343.43 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethoxyphenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 26330376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).