N-[4-(dimethylamino)-3-pyridinyl]-2H-triazole-4-carboxamide

C10H12N6O — CID 78941969

IUPACN-[4-(dimethylamino)-3-pyridinyl]-2H-triazole-4-carboxamide
SMILESCN(C)c1ccncc1NC(=O)c1cn[nH]n1
InChIInChI=1S/C10H12N6O/c1-16(2)9-3-4-11-5-7(9)13-10(17)8-6-12-15-14-8/h3-6H,1-2H3,(H,13,17)(H,12,14,15)
InChIKeyDHGYNMVGEAOMNX-UHFFFAOYSA-N
MW232.25 g/mol
LogP0.52
Rot. Bonds3

About N-[4-(dimethylamino)-3-pyridinyl]-2H-triazole-4-carboxamide

N-[4-(dimethylamino)-3-pyridinyl]-2H-triazole-4-carboxamide (PubChem CID 78941969) has the molecular formula C10H12N6O and a molecular weight of 232.25 g/mol. Its IUPAC name is N-[4-(dimethylamino)-3-pyridinyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-3-pyridinyl]-2H-triazole-4-carboxamide
PubChem CID78941969
Molecular FormulaC10H12N6O
Molecular Weight232.25 g/mol
Exact Mass232.11
IUPAC NameN-[4-(dimethylamino)-3-pyridinyl]-2H-triazole-4-carboxamide
SMILESCN(C)c1ccncc1NC(=O)c1cn[nH]n1
InChIInChI=1S/C10H12N6O/c1-16(2)9-3-4-11-5-7(9)13-10(17)8-6-12-15-14-8/h3-6H,1-2H3,(H,13,17)(H,12,14,15)
InChIKeyDHGYNMVGEAOMNX-UHFFFAOYSA-N
XLogP0.52
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(dimethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 63049052
6-chloro-N-[4-(dimethylamino)-3-pyridinyl]pyridine-2-carboxamide
CID 55052253
4-(chloromethyl)-N-[4-(dimethylamino)-3-pyridinyl]benzamide
CID 43697150
N-[4-(dimethylamino)-3-pyridinyl]benzamide
CID 63319086
2-(aminomethyl)-N-[4-(dimethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 66376268
N-[4-(dimethylamino)-3-pyridinyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717969
N-[2-(dimethylcarbamoyl)phenyl]-2H-triazole-4-carboxamide
CID 78969673
1-(azetidin-3-yl)-N-[4-(dimethylamino)-3-pyridinyl]triazole-4-carboxamide
CID 79319511
2,4-dibromo-N-[4-(dimethylamino)-3-pyridinyl]benzamide
CID 103885438
2-bromo-N-[4-(dimethylamino)-3-pyridinyl]propanamide
CID 107903618
3-amino-N-[4-(dimethylamino)-3-pyridinyl]butanamide
CID 60837788
N-(2-acetylphenyl)-2H-triazole-4-carboxamide
CID 78969669

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-3-pyridinyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[4-(dimethylamino)-3-pyridinyl]-2H-triazole-4-carboxamide (CID 78941969) is N-[4-(dimethylamino)-3-pyridinyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)-3-pyridinyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)-3-pyridinyl]-2H-triazole-4-carboxamide is CN(C)c1ccncc1NC(=O)c1cn[nH]n1.
What is the InChIKey of N-[4-(dimethylamino)-3-pyridinyl]-2H-triazole-4-carboxamide?
The InChIKey is DHGYNMVGEAOMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O/c1-16(2)9-3-4-11-5-7(9)13-10(17)8-6-12-15-14-8/h3-6H,1-2H3,(H,13,17)(H,12,14,15).
What are the key properties of N-[4-(dimethylamino)-3-pyridinyl]-2H-triazole-4-carboxamide?
N-[4-(dimethylamino)-3-pyridinyl]-2H-triazole-4-carboxamide has a molecular weight of 232.25 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-3-pyridinyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 78941969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).