3-[(3R)-3-(methoxymethyl)piperidin-1-yl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazine

C19H26N4O4 — CID 42595056

IUPAC3-[(3R)-3-(methoxymethyl)piperidin-1-yl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazine
SMILESCOC[C@@H]1CCCN(c2nncc(-c3cc(OC)c(OC)c(OC)c3)n2)C1
InChIInChI=1S/C19H26N4O4/c1-24-12-13-6-5-7-23(11-13)19-21-15(10-20-22-19)14-8-16(25-2)18(27-4)17(9-14)26-3/h8-10,13H,5-7,11-12H2,1-4H3/t13-/m1/s1
InChIKeyVBVQUNFLSDZCBL-CYBMUJFWSA-N
MW374.44 g/mol
LogP2.43
Rot. Bonds7

About 3-[(3R)-3-(methoxymethyl)piperidin-1-yl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazine

3-[(3R)-3-(methoxymethyl)piperidin-1-yl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazine (PubChem CID 42595056) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-[(3R)-3-(methoxymethyl)piperidin-1-yl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazine.

Molecular Properties

Compound Name3-[(3R)-3-(methoxymethyl)piperidin-1-yl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazine
PubChem CID42595056
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name3-[(3R)-3-(methoxymethyl)piperidin-1-yl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazine
SMILESCOC[C@@H]1CCCN(c2nncc(-c3cc(OC)c(OC)c(OC)c3)n2)C1
InChIInChI=1S/C19H26N4O4/c1-24-12-13-6-5-7-23(11-13)19-21-15(10-20-22-19)14-8-16(25-2)18(27-4)17(9-14)26-3/h8-10,13H,5-7,11-12H2,1-4H3/t13-/m1/s1
InChIKeyVBVQUNFLSDZCBL-CYBMUJFWSA-N
XLogP2.43
TPSA78.83 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[(3R)-3-(methoxymethyl)piperidin-1-yl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazine with MolForge

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Related Compounds

3-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazine
CID 51505752
3-(3,4-dimethylpiperazin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-1,2,4-triazine
CID 45211897
2-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-5-amine
CID 106585802
5-(2,6-dimethoxyphenyl)-3-[(3R)-3-propoxypiperidin-1-yl]-1,2,4-triazine
CID 25309642
3-[4-(methoxymethyl)piperidin-1-yl]-5-naphthalen-1-yl-1,2,4-triazine
CID 42362902
4-[3-(methoxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-amine
CID 112746390
2-[3-(methoxymethyl)piperidin-1-yl]-4-methylpyrimidine
CID 133310053
5-naphthalen-2-yl-3-[(3R)-3-propoxypiperidin-1-yl]-1,2,4-triazine
CID 42525848
6,7-dimethoxy-1-[3-(pyrimidin-5-ylmethyl)piperidin-1-yl]phthalazine
CID 24876981
3-cyclopentyl-1-[4-[4-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one
CID 46082207
4-chloro-6-[(3S)-3-(methoxymethyl)piperidin-1-yl]pyrimidine
CID 129414399
5-methoxy-6-[3-(methoxymethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine
CID 106590175

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-(methoxymethyl)piperidin-1-yl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazine?
The IUPAC name of 3-[(3R)-3-(methoxymethyl)piperidin-1-yl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazine (CID 42595056) is 3-[(3R)-3-(methoxymethyl)piperidin-1-yl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazine.
What is the SMILES notation for 3-[(3R)-3-(methoxymethyl)piperidin-1-yl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazine?
The canonical SMILES for 3-[(3R)-3-(methoxymethyl)piperidin-1-yl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazine is COC[C@@H]1CCCN(c2nncc(-c3cc(OC)c(OC)c(OC)c3)n2)C1.
What is the InChIKey of 3-[(3R)-3-(methoxymethyl)piperidin-1-yl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazine?
The InChIKey is VBVQUNFLSDZCBL-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-24-12-13-6-5-7-23(11-13)19-21-15(10-20-22-19)14-8-16(25-2)18(27-4)17(9-14)26-3/h8-10,13H,5-7,11-12H2,1-4H3/t13-/m1/s1.
What are the key properties of 3-[(3R)-3-(methoxymethyl)piperidin-1-yl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazine?
3-[(3R)-3-(methoxymethyl)piperidin-1-yl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazine has a molecular weight of 374.44 g/mol, XLogP of 2.43, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-(methoxymethyl)piperidin-1-yl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazine is sourced from PubChem (CID 42595056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).