N,N-dimethyl-2-[(1-methyltriazol-4-yl)methylamino]benzamide

C13H17N5O — CID 62755607

IUPACN,N-dimethyl-2-[(1-methyltriazol-4-yl)methylamino]benzamide
SMILESCN(C)C(=O)c1ccccc1NCc1cn(C)nn1
InChIInChI=1S/C13H17N5O/c1-17(2)13(19)11-6-4-5-7-12(11)14-8-10-9-18(3)16-15-10/h4-7,9,14H,8H2,1-3H3
InChIKeyYUOAWUILGJZMKS-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.13
Rot. Bonds4

About N,N-dimethyl-2-[(1-methyltriazol-4-yl)methylamino]benzamide

N,N-dimethyl-2-[(1-methyltriazol-4-yl)methylamino]benzamide (PubChem CID 62755607) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N,N-dimethyl-2-[(1-methyltriazol-4-yl)methylamino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(1-methyltriazol-4-yl)methylamino]benzamide
PubChem CID62755607
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN,N-dimethyl-2-[(1-methyltriazol-4-yl)methylamino]benzamide
SMILESCN(C)C(=O)c1ccccc1NCc1cn(C)nn1
InChIInChI=1S/C13H17N5O/c1-17(2)13(19)11-6-4-5-7-12(11)14-8-10-9-18(3)16-15-10/h4-7,9,14H,8H2,1-3H3
InChIKeyYUOAWUILGJZMKS-UHFFFAOYSA-N
XLogP1.13
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-(pyridin-2-ylmethylamino)benzamide
CID 43738317
2-bromo-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 62756659
2-methylsulfanyl-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 62755411
N,N-dimethyl-2-(1H-pyrrol-3-ylmethylamino)benzamide
CID 66408086
N-[(1-methyltriazol-4-yl)methyl]-2-(trifluoromethoxy)aniline
CID 62757923
2-[(2-fluorophenyl)methylamino]-N,N-dimethylbenzamide
CID 43432309
2-(difluoromethylsulfanyl)-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 62756281
N,N-dimethyl-2-[(1-methyltriazol-4-yl)methylamino]acetamide
CID 62757210
2-[4-[(2-carbamoylanilino)methyl]triazol-1-yl]acetic acid
CID 115457975
2-[(1-ethylimidazol-2-yl)methylamino]-N,N-dimethylbenzamide
CID 62351342
N,N-dimethyl-2-(prop-2-ynylamino)benzamide
CID 63953084
N,N-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
CID 115688049

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(1-methyltriazol-4-yl)methylamino]benzamide?
The IUPAC name of N,N-dimethyl-2-[(1-methyltriazol-4-yl)methylamino]benzamide (CID 62755607) is N,N-dimethyl-2-[(1-methyltriazol-4-yl)methylamino]benzamide.
What is the SMILES notation for N,N-dimethyl-2-[(1-methyltriazol-4-yl)methylamino]benzamide?
The canonical SMILES for N,N-dimethyl-2-[(1-methyltriazol-4-yl)methylamino]benzamide is CN(C)C(=O)c1ccccc1NCc1cn(C)nn1.
What is the InChIKey of N,N-dimethyl-2-[(1-methyltriazol-4-yl)methylamino]benzamide?
The InChIKey is YUOAWUILGJZMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-17(2)13(19)11-6-4-5-7-12(11)14-8-10-9-18(3)16-15-10/h4-7,9,14H,8H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[(1-methyltriazol-4-yl)methylamino]benzamide?
N,N-dimethyl-2-[(1-methyltriazol-4-yl)methylamino]benzamide has a molecular weight of 259.31 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(1-methyltriazol-4-yl)methylamino]benzamide is sourced from PubChem (CID 62755607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).