N,N-dimethyl-2-[4-[(3-methyltriazol-4-yl)methylamino]phenyl]acetamide

C14H19N5O — CID 115682439

IUPACN,N-dimethyl-2-[4-[(3-methyltriazol-4-yl)methylamino]phenyl]acetamide
SMILESCN(C)C(=O)Cc1ccc(NCc2cnnn2C)cc1
InChIInChI=1S/C14H19N5O/c1-18(2)14(20)8-11-4-6-12(7-5-11)15-9-13-10-16-17-19(13)3/h4-7,10,15H,8-9H2,1-3H3
InChIKeyURPUMACQDXUJLH-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.06
Rot. Bonds5

About N,N-dimethyl-2-[4-[(3-methyltriazol-4-yl)methylamino]phenyl]acetamide

N,N-dimethyl-2-[4-[(3-methyltriazol-4-yl)methylamino]phenyl]acetamide (PubChem CID 115682439) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[(3-methyltriazol-4-yl)methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[(3-methyltriazol-4-yl)methylamino]phenyl]acetamide
PubChem CID115682439
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN,N-dimethyl-2-[4-[(3-methyltriazol-4-yl)methylamino]phenyl]acetamide
SMILESCN(C)C(=O)Cc1ccc(NCc2cnnn2C)cc1
InChIInChI=1S/C14H19N5O/c1-18(2)14(20)8-11-4-6-12(7-5-11)15-9-13-10-16-17-19(13)3/h4-7,10,15H,8-9H2,1-3H3
InChIKeyURPUMACQDXUJLH-UHFFFAOYSA-N
XLogP1.06
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(3-methyltriazol-4-yl)methylamino]phenyl]propanamide
CID 115682692
N,N-dimethyl-2-[(3-methyltriazol-4-yl)methylamino]acetamide
CID 115682148
2-[4-[(1-ethylpyrrol-2-yl)methylamino]phenyl]-N,N-dimethylacetamide
CID 66410759
N-[(3-methyltriazol-4-yl)methyl]-4-nitroaniline
CID 113483011
N,N-dimethyl-2-[4-(1H-pyrrol-3-ylmethylamino)phenyl]acetamide
CID 66409827
N,N-dimethyl-2-[4-(thiophen-3-ylmethylamino)phenyl]acetamide
CID 43720754
2-[4-[(2-bromophenyl)methylamino]phenyl]-N,N-dimethylacetamide
CID 43720767
N-[2-chloro-4-[(3-methyltriazol-4-yl)methylamino]phenyl]acetamide
CID 115743018
N-[(3-methyltriazol-4-yl)methyl]-4-piperidin-1-ylaniline
CID 115742901
N-[(3-methyltriazol-4-yl)methyl]-4-(1,3-thiazol-2-yl)aniline
CID 115749257
N,N-dimethyl-2-[4-[(4-methyl-1,3-thiazol-2-yl)methylamino]phenyl]acetamide
CID 115633702
4-[(3-methyltriazol-4-yl)methylamino]-N-(1,3-thiazol-2-yl)benzamide
CID 154741415

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[(3-methyltriazol-4-yl)methylamino]phenyl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-[(3-methyltriazol-4-yl)methylamino]phenyl]acetamide (CID 115682439) is N,N-dimethyl-2-[4-[(3-methyltriazol-4-yl)methylamino]phenyl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-[(3-methyltriazol-4-yl)methylamino]phenyl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-[(3-methyltriazol-4-yl)methylamino]phenyl]acetamide is CN(C)C(=O)Cc1ccc(NCc2cnnn2C)cc1.
What is the InChIKey of N,N-dimethyl-2-[4-[(3-methyltriazol-4-yl)methylamino]phenyl]acetamide?
The InChIKey is URPUMACQDXUJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-18(2)14(20)8-11-4-6-12(7-5-11)15-9-13-10-16-17-19(13)3/h4-7,10,15H,8-9H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[4-[(3-methyltriazol-4-yl)methylamino]phenyl]acetamide?
N,N-dimethyl-2-[4-[(3-methyltriazol-4-yl)methylamino]phenyl]acetamide has a molecular weight of 273.34 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[(3-methyltriazol-4-yl)methylamino]phenyl]acetamide is sourced from PubChem (CID 115682439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).