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

C13H9Cl3N6O — CID 26251367

IUPAC7-methyl-N'-(2,4,6-trichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
SMILESCc1ccnc2nc(C(=O)NNc3c(Cl)cc(Cl)cc3Cl)nn12
InChIInChI=1S/C13H9Cl3N6O/c1-6-2-3-17-13-18-11(21-22(6)13)12(23)20-19-10-8(15)4-7(14)5-9(10)16/h2-5,19H,1H3,(H,20,23)
InChIKeyDAWCQGYVWSHFBN-UHFFFAOYSA-N
MW371.62 g/mol
LogP3.15
Rot. Bonds3

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

7-methyl-N'-(2,4,6-trichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide (PubChem CID 26251367) has the molecular formula C13H9Cl3N6O and a molecular weight of 371.62 g/mol. Its IUPAC name is 7-methyl-N'-(2,4,6-trichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide.

Molecular Properties

Compound Name7-methyl-N'-(2,4,6-trichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
PubChem CID26251367
Molecular FormulaC13H9Cl3N6O
Molecular Weight371.62 g/mol
Exact Mass369.99
IUPAC Name7-methyl-N'-(2,4,6-trichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
SMILESCc1ccnc2nc(C(=O)NNc3c(Cl)cc(Cl)cc3Cl)nn12
InChIInChI=1S/C13H9Cl3N6O/c1-6-2-3-17-13-18-11(21-22(6)13)12(23)20-19-10-8(15)4-7(14)5-9(10)16/h2-5,19H,1H3,(H,20,23)
InChIKeyDAWCQGYVWSHFBN-UHFFFAOYSA-N
XLogP3.15
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.62
LogP ≤ 53.15
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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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N'-(2,4,6-trichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide?
The IUPAC name of 7-methyl-N'-(2,4,6-trichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide (CID 26251367) is 7-methyl-N'-(2,4,6-trichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide.
What is the SMILES notation for 7-methyl-N'-(2,4,6-trichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide?
The canonical SMILES for 7-methyl-N'-(2,4,6-trichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide is Cc1ccnc2nc(C(=O)NNc3c(Cl)cc(Cl)cc3Cl)nn12.
What is the InChIKey of 7-methyl-N'-(2,4,6-trichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide?
The InChIKey is DAWCQGYVWSHFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3N6O/c1-6-2-3-17-13-18-11(21-22(6)13)12(23)20-19-10-8(15)4-7(14)5-9(10)16/h2-5,19H,1H3,(H,20,23).
What are the key properties of 7-methyl-N'-(2,4,6-trichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide?
7-methyl-N'-(2,4,6-trichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide has a molecular weight of 371.62 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N'-(2,4,6-trichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide is sourced from PubChem (CID 26251367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).