N-methyl-N-phenyl-2H-triazole-4-carboxamide

C10H10N4O — CID 78968210

IUPACN-methyl-N-phenyl-2H-triazole-4-carboxamide
SMILESCN(C(=O)c1cn[nH]n1)c1ccccc1
InChIInChI=1S/C10H10N4O/c1-14(8-5-3-2-4-6-8)10(15)9-7-11-13-12-9/h2-7H,1H3,(H,11,12,13)
InChIKeyZTGPTDCKAPLELB-UHFFFAOYSA-N
MW202.22 g/mol
LogP1.08
Rot. Bonds2

About N-methyl-N-phenyl-2H-triazole-4-carboxamide

N-methyl-N-phenyl-2H-triazole-4-carboxamide (PubChem CID 78968210) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is N-methyl-N-phenyl-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-2H-triazole-4-carboxamide
PubChem CID78968210
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC NameN-methyl-N-phenyl-2H-triazole-4-carboxamide
SMILESCN(C(=O)c1cn[nH]n1)c1ccccc1
InChIInChI=1S/C10H10N4O/c1-14(8-5-3-2-4-6-8)10(15)9-7-11-13-12-9/h2-7H,1H3,(H,11,12,13)
InChIKeyZTGPTDCKAPLELB-UHFFFAOYSA-N
XLogP1.08
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethylphenyl)-N-methyl-2H-triazole-4-carboxamide
CID 47356365
N-methyl-N-(3-phenoxypropyl)-2H-triazole-4-carboxamide
CID 112733409
N-cyclobutyl-N-methyl-2H-triazole-4-carboxamide
CID 115649346
N-methyl-N-phenylcinnoline-3-carboxamide
CID 110705116
N-(2-chloro-4-fluorophenyl)-N-methyl-2H-triazole-4-carboxamide
CID 142981512
N-methyl-N-phenyl-1,2-oxazole-3-carboxamide
CID 91235694
5-(diethylamino)-N-methyl-N-phenylpyrazine-2-carboxamide
CID 109286874
N-ethyl-N-(4-fluorophenyl)-2H-triazole-4-carboxamide
CID 78969627
N-benzyl-2H-triazole-4-carboxamide
CID 47334751
N-methyl-N-phenyl-5-(propylamino)pyridine-2-carboxamide
CID 109179331
3-amino-N-methyl-N-phenyl-1H-1,2,4-triazole-5-carboxamide
CID 62808230
6-methoxy-N-methyl-N-phenylpyridine-2-carboxamide
CID 110856921

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-2H-triazole-4-carboxamide?
The IUPAC name of N-methyl-N-phenyl-2H-triazole-4-carboxamide (CID 78968210) is N-methyl-N-phenyl-2H-triazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-phenyl-2H-triazole-4-carboxamide?
The canonical SMILES for N-methyl-N-phenyl-2H-triazole-4-carboxamide is CN(C(=O)c1cn[nH]n1)c1ccccc1.
What is the InChIKey of N-methyl-N-phenyl-2H-triazole-4-carboxamide?
The InChIKey is ZTGPTDCKAPLELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c1-14(8-5-3-2-4-6-8)10(15)9-7-11-13-12-9/h2-7H,1H3,(H,11,12,13).
What are the key properties of N-methyl-N-phenyl-2H-triazole-4-carboxamide?
N-methyl-N-phenyl-2H-triazole-4-carboxamide has a molecular weight of 202.22 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-2H-triazole-4-carboxamide is sourced from PubChem (CID 78968210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).