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

C14H12N6O2 — CID 26251513

IUPACN'-benzoyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
SMILESCc1ccnc2nc(C(=O)NNC(=O)c3ccccc3)nn12
InChIInChI=1S/C14H12N6O2/c1-9-7-8-15-14-16-11(19-20(9)14)13(22)18-17-12(21)10-5-3-2-4-6-10/h2-8H,1H3,(H,17,21)(H,18,22)
InChIKeyNFJJHTAETQRDAL-UHFFFAOYSA-N
MW296.29 g/mol
LogP0.51
Rot. Bonds2

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

N'-benzoyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide (PubChem CID 26251513) has the molecular formula C14H12N6O2 and a molecular weight of 296.29 g/mol. Its IUPAC name is N'-benzoyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide.

Molecular Properties

Compound NameN'-benzoyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
PubChem CID26251513
Molecular FormulaC14H12N6O2
Molecular Weight296.29 g/mol
Exact Mass296.10
IUPAC NameN'-benzoyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
SMILESCc1ccnc2nc(C(=O)NNC(=O)c3ccccc3)nn12
InChIInChI=1S/C14H12N6O2/c1-9-7-8-15-14-16-11(19-20(9)14)13(22)18-17-12(21)10-5-3-2-4-6-10/h2-8H,1H3,(H,17,21)(H,18,22)
InChIKeyNFJJHTAETQRDAL-UHFFFAOYSA-N
XLogP0.51
TPSA101.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 50.51
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

N'-(3-chlorobenzoyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
CID 8913368
N'-[3-(dimethylamino)benzoyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
CID 26184803
2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]acetic acid
CID 43354509
N-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 47143299
7-methyl-N-(4-phenyldiazenylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 8886551
7-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 36714293
7-methyl-N-[1-(2-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 18082474
7-methyl-N'-(2,4,6-trichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
CID 26251367
N-cyclohexyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 18150434
1-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43351150
2-hydroxy-3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]propanoic acid
CID 66165203
7-methyl-N-[2-(2-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 18190009

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide?
The IUPAC name of N'-benzoyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide (CID 26251513) is N'-benzoyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide.
What is the SMILES notation for N'-benzoyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide?
The canonical SMILES for N'-benzoyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide is Cc1ccnc2nc(C(=O)NNC(=O)c3ccccc3)nn12.
What is the InChIKey of N'-benzoyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide?
The InChIKey is NFJJHTAETQRDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O2/c1-9-7-8-15-14-16-11(19-20(9)14)13(22)18-17-12(21)10-5-3-2-4-6-10/h2-8H,1H3,(H,17,21)(H,18,22).
What are the key properties of N'-benzoyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide?
N'-benzoyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide has a molecular weight of 296.29 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide is sourced from PubChem (CID 26251513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).