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

C17H18N6O2 — CID 725094

IUPACN-[(4-ethoxyphenyl)methylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCOc1ccc(C=NNC(=O)c2nc3nc(C)cc(C)n3n2)cc1
InChIInChI=1S/C17H18N6O2/c1-4-25-14-7-5-13(6-8-14)10-18-21-16(24)15-20-17-19-11(2)9-12(3)23(17)22-15/h5-10H,4H2,1-3H3,(H,21,24)
InChIKeyVVHNRTFEDWWMTP-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.90
Rot. Bonds5

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

N-[(4-ethoxyphenyl)methylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 725094) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID725094
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC NameN-[(4-ethoxyphenyl)methylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCOc1ccc(C=NNC(=O)c2nc3nc(C)cc(C)n3n2)cc1
InChIInChI=1S/C17H18N6O2/c1-4-25-14-7-5-13(6-8-14)10-18-21-16(24)15-20-17-19-11(2)9-12(3)23(17)22-15/h5-10H,4H2,1-3H3,(H,21,24)
InChIKeyVVHNRTFEDWWMTP-UHFFFAOYSA-N
XLogP1.90
TPSA93.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[(4-ethoxyphenyl)methylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,7-dimethyl-N-[(Z)-(4-methylphenyl)methylideneamino]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 5397735
5,7-dimethyl-N-(pyridin-4-ylmethylideneamino)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 724863
5,7-dimethyl-N-[(4-nitrophenyl)methylideneamino]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 749044
5,7-dimethyl-N-(pyridin-3-ylmethylideneamino)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 725033
N-[(4-ethoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide
CID 3318131
5,7-dimethyl-N-[(Z)-(2-methylphenyl)methylideneamino]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 5397729
N-(2,5-diethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 17462345
1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
N-[(4-ethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 760412
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 724860
4-ethoxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 4249365
5,7-dimethyl-N-[[(Z)-3-phenylprop-2-enylidene]amino]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 129440524

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(4-ethoxyphenyl)methylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 725094) is N-[(4-ethoxyphenyl)methylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is CCOc1ccc(C=NNC(=O)c2nc3nc(C)cc(C)n3n2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is VVHNRTFEDWWMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-4-25-14-7-5-13(6-8-14)10-18-21-16(24)15-20-17-19-11(2)9-12(3)23(17)22-15/h5-10H,4H2,1-3H3,(H,21,24).
What are the key properties of N-[(4-ethoxyphenyl)methylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[(4-ethoxyphenyl)methylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 725094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).