5,7-dimethyl-N'-(2,4,6-trichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide

C14H11Cl3N6O — CID 34934019

IUPAC5,7-dimethyl-N'-(2,4,6-trichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
SMILESCc1cc(C)n2nc(C(=O)NNc3c(Cl)cc(Cl)cc3Cl)nc2n1
InChIInChI=1S/C14H11Cl3N6O/c1-6-3-7(2)23-14(18-6)19-12(22-23)13(24)21-20-11-9(16)4-8(15)5-10(11)17/h3-5,20H,1-2H3,(H,21,24)
InChIKeyJSRFBKQBAVSBCT-UHFFFAOYSA-N
MW385.64 g/mol
LogP3.46
Rot. Bonds3

About 5,7-dimethyl-N'-(2,4,6-trichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide

5,7-dimethyl-N'-(2,4,6-trichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide (PubChem CID 34934019) has the molecular formula C14H11Cl3N6O and a molecular weight of 385.64 g/mol. Its IUPAC name is 5,7-dimethyl-N'-(2,4,6-trichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide.

Molecular Properties

Compound Name5,7-dimethyl-N'-(2,4,6-trichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
PubChem CID34934019
Molecular FormulaC14H11Cl3N6O
Molecular Weight385.64 g/mol
Exact Mass384.01
IUPAC Name5,7-dimethyl-N'-(2,4,6-trichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
SMILESCc1cc(C)n2nc(C(=O)NNc3c(Cl)cc(Cl)cc3Cl)nc2n1
InChIInChI=1S/C14H11Cl3N6O/c1-6-3-7(2)23-14(18-6)19-12(22-23)13(24)21-20-11-9(16)4-8(15)5-10(11)17/h3-5,20H,1-2H3,(H,21,24)
InChIKeyJSRFBKQBAVSBCT-UHFFFAOYSA-N
XLogP3.46
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.64
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-methyl-N'-(2,4,6-trichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
CID 26251367
5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
CID 609815
N-(2-hydroxyethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 43393604
N-(2,3-dichlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 26736872
5,7-dimethyl-N'-[1-(4-methylphenyl)ethenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
CID 3299940
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 103895260
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 724860
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 110885459
[2-(2,4-dichloroanilino)-2-oxoethyl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 4690962
N-(4-hydroxy-2,2-dimethylbutyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 103772937
N-[2-(2-chlorophenoxy)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 37348111
5,7-dimethyl-N-[(Z)-(2-methylphenyl)methylideneamino]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 5397729

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N'-(2,4,6-trichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide?
The IUPAC name of 5,7-dimethyl-N'-(2,4,6-trichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide (CID 34934019) is 5,7-dimethyl-N'-(2,4,6-trichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide.
What is the SMILES notation for 5,7-dimethyl-N'-(2,4,6-trichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide?
The canonical SMILES for 5,7-dimethyl-N'-(2,4,6-trichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide is Cc1cc(C)n2nc(C(=O)NNc3c(Cl)cc(Cl)cc3Cl)nc2n1.
What is the InChIKey of 5,7-dimethyl-N'-(2,4,6-trichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide?
The InChIKey is JSRFBKQBAVSBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3N6O/c1-6-3-7(2)23-14(18-6)19-12(22-23)13(24)21-20-11-9(16)4-8(15)5-10(11)17/h3-5,20H,1-2H3,(H,21,24).
What are the key properties of 5,7-dimethyl-N'-(2,4,6-trichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide?
5,7-dimethyl-N'-(2,4,6-trichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide has a molecular weight of 385.64 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N'-(2,4,6-trichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide is sourced from PubChem (CID 34934019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).