N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C18H20N6O3 — CID 1418692

IUPACN-[1-(2,4-dimethoxyphenyl)ethylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(C(C)=NNC(=O)c2nc3nc(C)cc(C)n3n2)c(OC)c1
InChIInChI=1S/C18H20N6O3/c1-10-8-11(2)24-18(19-10)20-16(23-24)17(25)22-21-12(3)14-7-6-13(26-4)9-15(14)27-5/h6-9H,1-5H3,(H,22,25)
InChIKeyNSEUMBUREKJUGU-UHFFFAOYSA-N
MW368.40 g/mol
LogP1.91
Rot. Bonds5

About N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1418692) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethoxyphenyl)ethylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1418692
Molecular FormulaC18H20N6O3
Molecular Weight368.40 g/mol
Exact Mass368.16
IUPAC NameN-[1-(2,4-dimethoxyphenyl)ethylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(C(C)=NNC(=O)c2nc3nc(C)cc(C)n3n2)c(OC)c1
InChIInChI=1S/C18H20N6O3/c1-10-8-11(2)24-18(19-10)20-16(23-24)17(25)22-21-12(3)14-7-6-13(26-4)9-15(14)27-5/h6-9H,1-5H3,(H,22,25)
InChIKeyNSEUMBUREKJUGU-UHFFFAOYSA-N
XLogP1.91
TPSA103.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5,7-dimethyl-N-(1-phenylethylideneamino)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2837071
2,4-dimethoxy-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 873053
2,4-dichloro-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide
CID 4507808
N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 78596498
N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6259144
N-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 1268537
N-(4,5-dimethoxy-2-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 7751290
4-amino-N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide;oxalic acid
CID 163326318
1-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3-(4-methylphenyl)thiourea
CID 6132692
N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3,4,5-triethoxybenzamide
CID 22830699
N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]-4-methoxybenzamide
CID 9359358
N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-2-prop-2-enoxybenzamide
CID 4928995

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 1418692) is N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is COc1ccc(C(C)=NNC(=O)c2nc3nc(C)cc(C)n3n2)c(OC)c1.
What is the InChIKey of N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is NSEUMBUREKJUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3/c1-10-8-11(2)24-18(19-10)20-16(23-24)17(25)22-21-12(3)14-7-6-13(26-4)9-15(14)27-5/h6-9H,1-5H3,(H,22,25).
What are the key properties of N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 368.40 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1418692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).