5-(2,4-dimethoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]-1,2,4-triazin-3-amine

C18H19N5O2 — CID 29150259

IUPAC5-(2,4-dimethoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]-1,2,4-triazin-3-amine
SMILESCOc1ccc(-c2cnnc(NCc3ccncc3C)n2)c(OC)c1
InChIInChI=1S/C18H19N5O2/c1-12-9-19-7-6-13(12)10-20-18-22-16(11-21-23-18)15-5-4-14(24-2)8-17(15)25-3/h4-9,11H,10H2,1-3H3,(H,20,22,23)
InChIKeyMEHVKAKKBBSHBL-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.87
Rot. Bonds6

About 5-(2,4-dimethoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]-1,2,4-triazin-3-amine

5-(2,4-dimethoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]-1,2,4-triazin-3-amine (PubChem CID 29150259) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 5-(2,4-dimethoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(2,4-dimethoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]-1,2,4-triazin-3-amine
PubChem CID29150259
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name5-(2,4-dimethoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]-1,2,4-triazin-3-amine
SMILESCOc1ccc(-c2cnnc(NCc3ccncc3C)n2)c(OC)c1
InChIInChI=1S/C18H19N5O2/c1-12-9-19-7-6-13(12)10-20-18-22-16(11-21-23-18)15-5-4-14(24-2)8-17(15)25-3/h4-9,11H,10H2,1-3H3,(H,20,22,23)
InChIKeyMEHVKAKKBBSHBL-UHFFFAOYSA-N
XLogP2.87
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2,4-dimethoxyphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2,4-triazin-3-amine
CID 28955643
5-(2,4-dimethoxyphenyl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1,2,4-triazin-3-amine
CID 42415404
5-(2,4-dimethoxyphenyl)-N-[2-[(2R)-oxan-2-yl]ethyl]-1,2,4-triazin-3-amine
CID 25369060
N-[(4-methoxyphenyl)methyl]-5-(2-methylphenyl)-1,2,4-triazin-3-amine
CID 30869203
6-methoxy-N-[(3-methyl-4-pyridinyl)methyl]-1,3-benzothiazol-2-amine
CID 114701205
3-N-(2,4-dimethoxyphenyl)-5-N-[(2-methylphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112947973
4-methoxy-2-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol
CID 114698554
N-[(5-methoxy-1,3-benzothiazol-2-yl)methyl]-5-(2-methylphenyl)-1,2,4-triazin-3-amine
CID 90864949
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-(3-methyl-4-pyridinyl)methanamine
CID 114698588
5-(2-methoxy-6-methylphenyl)-N-([1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)-1,2,4-triazin-3-amine
CID 68563776
5-N-(2,5-dimethoxyphenyl)-3-N-(pyridin-3-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112952411
5-N-(2,4-dimethoxyphenyl)-3-N-[(4-methylphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112948814

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5-(2,4-dimethoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]-1,2,4-triazin-3-amine (CID 29150259) is 5-(2,4-dimethoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(2,4-dimethoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(2,4-dimethoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]-1,2,4-triazin-3-amine is COc1ccc(-c2cnnc(NCc3ccncc3C)n2)c(OC)c1.
What is the InChIKey of 5-(2,4-dimethoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]-1,2,4-triazin-3-amine?
The InChIKey is MEHVKAKKBBSHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-12-9-19-7-6-13(12)10-20-18-22-16(11-21-23-18)15-5-4-14(24-2)8-17(15)25-3/h4-9,11H,10H2,1-3H3,(H,20,22,23).
What are the key properties of 5-(2,4-dimethoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]-1,2,4-triazin-3-amine?
5-(2,4-dimethoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]-1,2,4-triazin-3-amine has a molecular weight of 337.38 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 29150259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).