N'-benzoyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide

C15H14N6O2 — CID 2514277

IUPACN'-benzoyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
SMILESCc1cc(C)n2nc(C(=O)NNC(=O)c3ccccc3)nc2n1
InChIInChI=1S/C15H14N6O2/c1-9-8-10(2)21-15(16-9)17-12(20-21)14(23)19-18-13(22)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,18,22)(H,19,23)
InChIKeyLMOHGFVBJYQTCO-UHFFFAOYSA-N
MW310.32 g/mol
LogP0.82
Rot. Bonds2

About N'-benzoyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide

N'-benzoyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide (PubChem CID 2514277) has the molecular formula C15H14N6O2 and a molecular weight of 310.32 g/mol. Its IUPAC name is N'-benzoyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide.

Molecular Properties

Compound NameN'-benzoyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
PubChem CID2514277
Molecular FormulaC15H14N6O2
Molecular Weight310.32 g/mol
Exact Mass310.12
IUPAC NameN'-benzoyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
SMILESCc1cc(C)n2nc(C(=O)NNC(=O)c3ccccc3)nc2n1
InChIInChI=1S/C15H14N6O2/c1-9-8-10(2)21-15(16-9)17-12(20-21)14(23)19-18-13(22)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,18,22)(H,19,23)
InChIKeyLMOHGFVBJYQTCO-UHFFFAOYSA-N
XLogP0.82
TPSA101.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 50.82
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 N'-benzoyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide?
The IUPAC name of N'-benzoyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide (CID 2514277) is N'-benzoyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide.
What is the SMILES notation for N'-benzoyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide?
The canonical SMILES for N'-benzoyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide is Cc1cc(C)n2nc(C(=O)NNC(=O)c3ccccc3)nc2n1.
What is the InChIKey of N'-benzoyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide?
The InChIKey is LMOHGFVBJYQTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O2/c1-9-8-10(2)21-15(16-9)17-12(20-21)14(23)19-18-13(22)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,18,22)(H,19,23).
What are the key properties of N'-benzoyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide?
N'-benzoyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide has a molecular weight of 310.32 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide is sourced from PubChem (CID 2514277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).