(5-amino-3-anilino-1,2,4-triazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone

C18H19N5O4 — CID 118708603

IUPAC(5-amino-3-anilino-1,2,4-triazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)n2nc(Nc3ccccc3)nc2N)cc(OC)c1OC
InChIInChI=1S/C18H19N5O4/c1-25-13-9-11(10-14(26-2)15(13)27-3)16(24)23-17(19)21-18(22-23)20-12-7-5-4-6-8-12/h4-10H,1-3H3,(H3,19,20,21,22)
InChIKeyNWWKEGGBLFMMNL-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.32
Rot. Bonds6

About (5-amino-3-anilino-1,2,4-triazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone

(5-amino-3-anilino-1,2,4-triazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 118708603) has the molecular formula C18H19N5O4 and a molecular weight of 369.38 g/mol. Its IUPAC name is (5-amino-3-anilino-1,2,4-triazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(5-amino-3-anilino-1,2,4-triazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID118708603
Molecular FormulaC18H19N5O4
Molecular Weight369.38 g/mol
Exact Mass369.14
IUPAC Name(5-amino-3-anilino-1,2,4-triazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)n2nc(Nc3ccccc3)nc2N)cc(OC)c1OC
InChIInChI=1S/C18H19N5O4/c1-25-13-9-11(10-14(26-2)15(13)27-3)16(24)23-17(19)21-18(22-23)20-12-7-5-4-6-8-12/h4-10H,1-3H3,(H3,19,20,21,22)
InChIKeyNWWKEGGBLFMMNL-UHFFFAOYSA-N
XLogP2.32
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

[5-Amino-3-(4-methylanilino)-1,2,4-triazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 118708605
[5-Amino-3-(3,4-dimethylanilino)-1,2,4-triazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 118708607
[5-Amino-3-(4-ethylanilino)-1,2,4-triazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 118708608
[5-Amino-3-(3-methoxyanilino)-1,2,4-triazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 118708612
3,4,5-trimethoxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 606794
N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-3,4,5-trimethoxybenzamide
CID 665789
N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-2,6-dimethoxybenzamide
CID 3791556
N-(N-(3-Benzamidophenyl)carbamimidoyl)-3,4,5-trimethoxybenzamide
CID 136210502
3,4,5-trimethoxy-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzamide
CID 1269291
5-methyl-N-phenyl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 2792599
3,4,5-Trimethoxy-N-{5-[methyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-YL}benzamide
CID 16017357
3-(4-methylphenyl)-1-(3,4,5-trimethoxybenzoyl)-1H-1,2,4-triazol-5-amine
CID 20898942

Frequently Asked Questions

What is the IUPAC name of (5-amino-3-anilino-1,2,4-triazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (5-amino-3-anilino-1,2,4-triazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 118708603) is (5-amino-3-anilino-1,2,4-triazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (5-amino-3-anilino-1,2,4-triazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (5-amino-3-anilino-1,2,4-triazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)n2nc(Nc3ccccc3)nc2N)cc(OC)c1OC.
What is the InChIKey of (5-amino-3-anilino-1,2,4-triazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is NWWKEGGBLFMMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4/c1-25-13-9-11(10-14(26-2)15(13)27-3)16(24)23-17(19)21-18(22-23)20-12-7-5-4-6-8-12/h4-10H,1-3H3,(H3,19,20,21,22).
What are the key properties of (5-amino-3-anilino-1,2,4-triazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
(5-amino-3-anilino-1,2,4-triazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 369.38 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3-anilino-1,2,4-triazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 118708603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).