N'-[3-(dimethylamino)benzoyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide

C16H17N7O2 — CID 26184803

IUPACN'-[3-(dimethylamino)benzoyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
SMILESCc1ccnc2nc(C(=O)NNC(=O)c3cccc(N(C)C)c3)nn12
InChIInChI=1S/C16H17N7O2/c1-10-7-8-17-16-18-13(21-23(10)16)15(25)20-19-14(24)11-5-4-6-12(9-11)22(2)3/h4-9H,1-3H3,(H,19,24)(H,20,25)
InChIKeyIRYWZNWMDATTLO-UHFFFAOYSA-N
MW339.36 g/mol
LogP0.57
Rot. Bonds3

About N'-[3-(dimethylamino)benzoyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide

N'-[3-(dimethylamino)benzoyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide (PubChem CID 26184803) has the molecular formula C16H17N7O2 and a molecular weight of 339.36 g/mol. Its IUPAC name is N'-[3-(dimethylamino)benzoyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(dimethylamino)benzoyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
PubChem CID26184803
Molecular FormulaC16H17N7O2
Molecular Weight339.36 g/mol
Exact Mass339.14
IUPAC NameN'-[3-(dimethylamino)benzoyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
SMILESCc1ccnc2nc(C(=O)NNC(=O)c3cccc(N(C)C)c3)nn12
InChIInChI=1S/C16H17N7O2/c1-10-7-8-17-16-18-13(21-23(10)16)15(25)20-19-14(24)11-5-4-6-12(9-11)22(2)3/h4-9H,1-3H3,(H,19,24)(H,20,25)
InChIKeyIRYWZNWMDATTLO-UHFFFAOYSA-N
XLogP0.57
TPSA104.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N'-[3-(dimethylamino)benzoyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide 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

N'-(3-chlorobenzoyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
CID 8913368
N-[3-(cyclopropylcarbamoyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 17494544
7-methyl-N'-(2,4,6-trichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
CID 26251367
N'-[3-(dimethylamino)benzoyl]-5-methylimidazo[1,2-a]pyridine-2-carbohydrazide
CID 37348998
2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]acetic acid
CID 43354509
N'-[3-(dimethylamino)benzoyl]-3-methoxy-4-methylbenzohydrazide
CID 26831201
N-cyclohexyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 18150434
N'-(4-tert-butylbenzoyl)-3-(dimethylamino)benzohydrazide
CID 26184746
7-methyl-N-[2-(2-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 18190009
7-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 36714293
7-methyl-N-[2-(3-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 51185265
N-butyl-7-methyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2476813

Frequently Asked Questions

What is the IUPAC name of N'-[3-(dimethylamino)benzoyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide?
The IUPAC name of N'-[3-(dimethylamino)benzoyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide (CID 26184803) is N'-[3-(dimethylamino)benzoyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide.
What is the SMILES notation for N'-[3-(dimethylamino)benzoyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide?
The canonical SMILES for N'-[3-(dimethylamino)benzoyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide is Cc1ccnc2nc(C(=O)NNC(=O)c3cccc(N(C)C)c3)nn12.
What is the InChIKey of N'-[3-(dimethylamino)benzoyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide?
The InChIKey is IRYWZNWMDATTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O2/c1-10-7-8-17-16-18-13(21-23(10)16)15(25)20-19-14(24)11-5-4-6-12(9-11)22(2)3/h4-9H,1-3H3,(H,19,24)(H,20,25).
What are the key properties of N'-[3-(dimethylamino)benzoyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide?
N'-[3-(dimethylamino)benzoyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide has a molecular weight of 339.36 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(dimethylamino)benzoyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide is sourced from PubChem (CID 26184803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).