N-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide

C15H21N5O2 — CID 3230999

IUPACN-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide
SMILESCOc1cccc(Cn2cc(C(=O)NCCN(C)C)nn2)c1
InChIInChI=1S/C15H21N5O2/c1-19(2)8-7-16-15(21)14-11-20(18-17-14)10-12-5-4-6-13(9-12)22-3/h4-6,9,11H,7-8,10H2,1-3H3,(H,16,21)
InChIKeyKLEPBMAIZWVISP-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.63
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide

N-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide (PubChem CID 3230999) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide
PubChem CID3230999
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC NameN-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide
SMILESCOc1cccc(Cn2cc(C(=O)NCCN(C)C)nn2)c1
InChIInChI=1S/C15H21N5O2/c1-19(2)8-7-16-15(21)14-11-20(18-17-14)10-12-5-4-6-13(9-12)22-3/h4-6,9,11H,7-8,10H2,1-3H3,(H,16,21)
InChIKeyKLEPBMAIZWVISP-UHFFFAOYSA-N
XLogP0.63
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]triazole-4-carboxamide
CID 118557468
N-[2-(4-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 16552535
N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]benzamide
CID 44218488
1-[4-[3-fluoro-2-oxo-4-[(2-phenylacetyl)amino]pyridin-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide
CID 118622468
1-[4-[2-oxo-4-[(2-phenylacetyl)amino]pyridin-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide
CID 118622563
[1-(Cyclohexylmethyl)triazol-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 24818854
N,N-diethyl-1-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]triazole-4-carboxamide
CID 45488640
N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]-4,5-dihydro-1,3-oxazole-4-carboxamide
CID 46885820
N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide
CID 86765175
N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-1-[(2-methoxyphenyl)methyl]triazole-4-carboxamide
CID 90643609
N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide
CID 90643610
1-benzyl-N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]triazole-4-carboxamide
CID 90643611

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide (CID 3230999) is N-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide is COc1cccc(Cn2cc(C(=O)NCCN(C)C)nn2)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide?
The InChIKey is KLEPBMAIZWVISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-19(2)8-7-16-15(21)14-11-20(18-17-14)10-12-5-4-6-13(9-12)22-3/h4-6,9,11H,7-8,10H2,1-3H3,(H,16,21).
What are the key properties of N-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide?
N-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide has a molecular weight of 303.37 g/mol, XLogP of 0.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 3230999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).