4-(4-chlorophenyl)-2-methyl-3,5-dioxo-N-(1-propyltetrazol-5-yl)-1,2,4-triazine-6-carboxamide

C15H15ClN8O3 — CID 118652771

IUPAC4-(4-chlorophenyl)-2-methyl-3,5-dioxo-N-(1-propyltetrazol-5-yl)-1,2,4-triazine-6-carboxamide
SMILESCCCn1nnnc1NC(=O)c1nn(C)c(=O)n(-c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C15H15ClN8O3/c1-3-8-23-14(18-20-21-23)17-12(25)11-13(26)24(15(27)22(2)19-11)10-6-4-9(16)5-7-10/h4-7H,3,8H2,1-2H3,(H,17,18,21,25)
InChIKeyOMYSMIDGCCECRG-UHFFFAOYSA-N
MW390.79 g/mol
LogP0.23
Rot. Bonds5

About 4-(4-chlorophenyl)-2-methyl-3,5-dioxo-N-(1-propyltetrazol-5-yl)-1,2,4-triazine-6-carboxamide

4-(4-chlorophenyl)-2-methyl-3,5-dioxo-N-(1-propyltetrazol-5-yl)-1,2,4-triazine-6-carboxamide (PubChem CID 118652771) has the molecular formula C15H15ClN8O3 and a molecular weight of 390.79 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-methyl-3,5-dioxo-N-(1-propyltetrazol-5-yl)-1,2,4-triazine-6-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-methyl-3,5-dioxo-N-(1-propyltetrazol-5-yl)-1,2,4-triazine-6-carboxamide
PubChem CID118652771
Molecular FormulaC15H15ClN8O3
Molecular Weight390.79 g/mol
Exact Mass390.10
IUPAC Name4-(4-chlorophenyl)-2-methyl-3,5-dioxo-N-(1-propyltetrazol-5-yl)-1,2,4-triazine-6-carboxamide
SMILESCCCn1nnnc1NC(=O)c1nn(C)c(=O)n(-c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C15H15ClN8O3/c1-3-8-23-14(18-20-21-23)17-12(25)11-13(26)24(15(27)22(2)19-11)10-6-4-9(16)5-7-10/h4-7H,3,8H2,1-2H3,(H,17,18,21,25)
InChIKeyOMYSMIDGCCECRG-UHFFFAOYSA-N
XLogP0.23
TPSA129.59 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.79
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 4-(4-chlorophenyl)-2-methyl-3,5-dioxo-N-(1-propyltetrazol-5-yl)-1,2,4-triazine-6-carboxamide with MolForge

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Related Compounds

4-(4-chloro-3-cyanophenyl)-2-methyl-N-(1-methyltetrazol-5-yl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 118652734
4-chloro-5-cyclopentyl-1-methyl-6-oxo-N-(1-propyltetrazol-5-yl)pyridazine-3-carboxamide
CID 138612962
(E)-3-(4-chlorophenyl)-N-(1-propyltetrazol-5-yl)prop-2-enamide
CID 960270
5-(2-chloro-4-methylphenyl)-N-(1-ethyltetrazol-5-yl)-1,4-dimethyl-6-oxopyridazine-3-carboxamide
CID 123738350
3-bromo-4-methoxy-N-(1-propyltetrazol-5-yl)benzamide
CID 960223
4-[[4-(difluoromethyl)phenyl]methyl]-2-methyl-N-(1-methyltetrazol-5-yl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 118652762
2-chloro-5-nitro-N-(1-propyltetrazol-5-yl)benzamide
CID 960311
5-chloro-N-[1-(2-methoxyethyl)tetrazol-5-yl]pyridine-2-carboxamide
CID 138017764
2-chloro-N-[(1-propyltetrazol-5-yl)carbamothioyl]benzamide
CID 960258
4-[(2,3-difluorophenyl)methyl]-2-methyl-N-(1-methyltetrazol-5-yl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 118652755
6-acetyl-4-(3-chloro-4-fluorophenyl)-2-methyl-1,2,4-triazine-3,5-dione
CID 118652697
5-bromo-2-methoxy-N-(1-propyltetrazol-5-yl)benzamide
CID 892036

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-methyl-3,5-dioxo-N-(1-propyltetrazol-5-yl)-1,2,4-triazine-6-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-2-methyl-3,5-dioxo-N-(1-propyltetrazol-5-yl)-1,2,4-triazine-6-carboxamide (CID 118652771) is 4-(4-chlorophenyl)-2-methyl-3,5-dioxo-N-(1-propyltetrazol-5-yl)-1,2,4-triazine-6-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-2-methyl-3,5-dioxo-N-(1-propyltetrazol-5-yl)-1,2,4-triazine-6-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-2-methyl-3,5-dioxo-N-(1-propyltetrazol-5-yl)-1,2,4-triazine-6-carboxamide is CCCn1nnnc1NC(=O)c1nn(C)c(=O)n(-c2ccc(Cl)cc2)c1=O.
What is the InChIKey of 4-(4-chlorophenyl)-2-methyl-3,5-dioxo-N-(1-propyltetrazol-5-yl)-1,2,4-triazine-6-carboxamide?
The InChIKey is OMYSMIDGCCECRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN8O3/c1-3-8-23-14(18-20-21-23)17-12(25)11-13(26)24(15(27)22(2)19-11)10-6-4-9(16)5-7-10/h4-7H,3,8H2,1-2H3,(H,17,18,21,25).
What are the key properties of 4-(4-chlorophenyl)-2-methyl-3,5-dioxo-N-(1-propyltetrazol-5-yl)-1,2,4-triazine-6-carboxamide?
4-(4-chlorophenyl)-2-methyl-3,5-dioxo-N-(1-propyltetrazol-5-yl)-1,2,4-triazine-6-carboxamide has a molecular weight of 390.79 g/mol, XLogP of 0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-methyl-3,5-dioxo-N-(1-propyltetrazol-5-yl)-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 118652771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).