5-imino-2,4-bis(4-methoxyphenyl)-3-sulfanylidene-1,2,4-triazine-6-carboxamide

C18H17N5O3S — CID 10714976

IUPAC5-imino-2,4-bis(4-methoxyphenyl)-3-sulfanylidene-1,2,4-triazine-6-carboxamide
SMILES[H]/N=c1\c(C(N)=O)nn(-c2ccc(OC)cc2)c(=S)n1-c1ccc(OC)cc1
InChIInChI=1S/C18H17N5O3S/c1-25-13-7-3-11(4-8-13)22-16(19)15(17(20)24)21-23(18(22)27)12-5-9-14(26-2)10-6-12/h3-10,19H,1-2H3,(H2,20,24)/b19-16+
InChIKeyOXHIJHYIXPROEU-KNTRCKAVSA-N
MW383.43 g/mol
LogP1.99
Rot. Bonds5

About 5-imino-2,4-bis(4-methoxyphenyl)-3-sulfanylidene-1,2,4-triazine-6-carboxamide

5-imino-2,4-bis(4-methoxyphenyl)-3-sulfanylidene-1,2,4-triazine-6-carboxamide (PubChem CID 10714976) has the molecular formula C18H17N5O3S and a molecular weight of 383.43 g/mol. Its IUPAC name is 5-imino-2,4-bis(4-methoxyphenyl)-3-sulfanylidene-1,2,4-triazine-6-carboxamide.

Molecular Properties

Compound Name5-imino-2,4-bis(4-methoxyphenyl)-3-sulfanylidene-1,2,4-triazine-6-carboxamide
PubChem CID10714976
Molecular FormulaC18H17N5O3S
Molecular Weight383.43 g/mol
Exact Mass383.11
IUPAC Name5-imino-2,4-bis(4-methoxyphenyl)-3-sulfanylidene-1,2,4-triazine-6-carboxamide
SMILES[H]/N=c1\c(C(N)=O)nn(-c2ccc(OC)cc2)c(=S)n1-c1ccc(OC)cc1
InChIInChI=1S/C18H17N5O3S/c1-25-13-7-3-11(4-8-13)22-16(19)15(17(20)24)21-23(18(22)27)12-5-9-14(26-2)10-6-12/h3-10,19H,1-2H3,(H2,20,24)/b19-16+
InChIKeyOXHIJHYIXPROEU-KNTRCKAVSA-N
XLogP1.99
TPSA108.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-butanoyl-1-(4-methoxyphenyl)-4-propylpyrazole-3-carboxamide
CID 145026682
5-ethyl-1-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 84614188
1-(4-aminoperoxysulfanylphenyl)-6-(4-methoxyphenyl)indazole-3-carboxamide
CID 59072858
1-(4-methoxyphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 42818387
ethyl 1-(4-methoxyphenyl)-5-methyltriazole-4-carboxylate
CID 43836208
5-amino-1-(4-methoxyphenyl)-1,2,4-triazole-3-carboxylic acid
CID 116817614
6-[4-[4-[3-carbamoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N-hydroxyanilino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 126495801
5-(4-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 84614098
4-hydroxy-1-(4-methoxyphenyl)-6-oxopyridazine-3-carbohydrazide
CID 82421317
ethyl 5-amino-4-chloro-1-(4-methoxyphenyl)pyrazole-3-carboxylate
CID 112707174
2-[2-(4-methoxyphenyl)pyrazol-3-yl]acetamide
CID 67052553
3-amino-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid
CID 83864095

Frequently Asked Questions

What is the IUPAC name of 5-imino-2,4-bis(4-methoxyphenyl)-3-sulfanylidene-1,2,4-triazine-6-carboxamide?
The IUPAC name of 5-imino-2,4-bis(4-methoxyphenyl)-3-sulfanylidene-1,2,4-triazine-6-carboxamide (CID 10714976) is 5-imino-2,4-bis(4-methoxyphenyl)-3-sulfanylidene-1,2,4-triazine-6-carboxamide.
What is the SMILES notation for 5-imino-2,4-bis(4-methoxyphenyl)-3-sulfanylidene-1,2,4-triazine-6-carboxamide?
The canonical SMILES for 5-imino-2,4-bis(4-methoxyphenyl)-3-sulfanylidene-1,2,4-triazine-6-carboxamide is [H]/N=c1\c(C(N)=O)nn(-c2ccc(OC)cc2)c(=S)n1-c1ccc(OC)cc1.
What is the InChIKey of 5-imino-2,4-bis(4-methoxyphenyl)-3-sulfanylidene-1,2,4-triazine-6-carboxamide?
The InChIKey is OXHIJHYIXPROEU-KNTRCKAVSA-N. The full InChI is InChI=1S/C18H17N5O3S/c1-25-13-7-3-11(4-8-13)22-16(19)15(17(20)24)21-23(18(22)27)12-5-9-14(26-2)10-6-12/h3-10,19H,1-2H3,(H2,20,24)/b19-16+.
What are the key properties of 5-imino-2,4-bis(4-methoxyphenyl)-3-sulfanylidene-1,2,4-triazine-6-carboxamide?
5-imino-2,4-bis(4-methoxyphenyl)-3-sulfanylidene-1,2,4-triazine-6-carboxamide has a molecular weight of 383.43 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-2,4-bis(4-methoxyphenyl)-3-sulfanylidene-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 10714976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).