6-[(4-methoxyphenyl)methyl]-3-(pyridin-3-ylmethylamino)-4H-1,2,4-triazin-5-one

C17H17N5O2 — CID 135561251

IUPAC6-[(4-methoxyphenyl)methyl]-3-(pyridin-3-ylmethylamino)-4H-1,2,4-triazin-5-one
SMILESCOc1ccc(Cc2nnc(NCc3cccnc3)[nH]c2=O)cc1
InChIInChI=1S/C17H17N5O2/c1-24-14-6-4-12(5-7-14)9-15-16(23)20-17(22-21-15)19-11-13-3-2-8-18-10-13/h2-8,10H,9,11H2,1H3,(H2,19,20,22,23)
InChIKeyFZCSCFQHZWEBFI-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.77
Rot. Bonds6

About 6-[(4-methoxyphenyl)methyl]-3-(pyridin-3-ylmethylamino)-4H-1,2,4-triazin-5-one

6-[(4-methoxyphenyl)methyl]-3-(pyridin-3-ylmethylamino)-4H-1,2,4-triazin-5-one (PubChem CID 135561251) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)methyl]-3-(pyridin-3-ylmethylamino)-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)methyl]-3-(pyridin-3-ylmethylamino)-4H-1,2,4-triazin-5-one
PubChem CID135561251
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name6-[(4-methoxyphenyl)methyl]-3-(pyridin-3-ylmethylamino)-4H-1,2,4-triazin-5-one
SMILESCOc1ccc(Cc2nnc(NCc3cccnc3)[nH]c2=O)cc1
InChIInChI=1S/C17H17N5O2/c1-24-14-6-4-12(5-7-14)9-15-16(23)20-17(22-21-15)19-11-13-3-2-8-18-10-13/h2-8,10H,9,11H2,1H3,(H2,19,20,22,23)
InChIKeyFZCSCFQHZWEBFI-UHFFFAOYSA-N
XLogP1.77
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(Cyclohex-1-en-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 134307820
Ro 24-0238
CID 6439060
2-(4-methoxyphenyl)-N-(pyridin-3-yl)acetamide
CID 799060
N-{2-(4-Methoxy-phenyl)-1-[(pyridin-3-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5442665
Icotidine
CID 72108
3-(4-propan-2-yloxyphenyl)-N-[(E)-pyridin-4-ylmethylideneamino]propanamide
CID 6882354
2-(4-methoxyphenyl)-N'-[(1E)-1-(pyridin-3-yl)ethylidene]acetohydrazide
CID 9662844
2-(4-ethoxyphenyl)-N'-[(1E)-1-(pyridin-3-yl)ethylidene]acetohydrazide
CID 25237298
5-(4-Benzyloxy-benzyl)-5-(2-pyridin-4-yl-ethyl)-pyrimidine-2,4,6-trione
CID 1398560
N-[1-[(Z)-[(cyanoamino)-[(2-methyl-3-pyridinyl)amino]methylidene]amino]-2,2-dimethylpropyl]-4-(4-methoxyphenyl)butanamide
CID 11453381
2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one
CID 11516577
2-amino-4-(3-cyclopentyl-4-methoxyphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one
CID 11553983

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenyl)methyl]-3-(pyridin-3-ylmethylamino)-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-[(4-methoxyphenyl)methyl]-3-(pyridin-3-ylmethylamino)-4H-1,2,4-triazin-5-one (CID 135561251) is 6-[(4-methoxyphenyl)methyl]-3-(pyridin-3-ylmethylamino)-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-[(4-methoxyphenyl)methyl]-3-(pyridin-3-ylmethylamino)-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-[(4-methoxyphenyl)methyl]-3-(pyridin-3-ylmethylamino)-4H-1,2,4-triazin-5-one is COc1ccc(Cc2nnc(NCc3cccnc3)[nH]c2=O)cc1.
What is the InChIKey of 6-[(4-methoxyphenyl)methyl]-3-(pyridin-3-ylmethylamino)-4H-1,2,4-triazin-5-one?
The InChIKey is FZCSCFQHZWEBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-24-14-6-4-12(5-7-14)9-15-16(23)20-17(22-21-15)19-11-13-3-2-8-18-10-13/h2-8,10H,9,11H2,1H3,(H2,19,20,22,23).
What are the key properties of 6-[(4-methoxyphenyl)methyl]-3-(pyridin-3-ylmethylamino)-4H-1,2,4-triazin-5-one?
6-[(4-methoxyphenyl)methyl]-3-(pyridin-3-ylmethylamino)-4H-1,2,4-triazin-5-one has a molecular weight of 323.36 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenyl)methyl]-3-(pyridin-3-ylmethylamino)-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135561251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).