N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,5-diethoxyaniline

C15H22N4O2 — CID 43524683

IUPACN-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,5-diethoxyaniline
SMILESCCOc1ccc(OCC)c(NCc2nnc(C)n2C)c1
InChIInChI=1S/C15H22N4O2/c1-5-20-12-7-8-14(21-6-2)13(9-12)16-10-15-18-17-11(3)19(15)4/h7-9,16H,5-6,10H2,1-4H3
InChIKeyCBFNCOXNKWZUIU-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.53
Rot. Bonds7

About N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,5-diethoxyaniline

N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,5-diethoxyaniline (PubChem CID 43524683) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,5-diethoxyaniline.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,5-diethoxyaniline
PubChem CID43524683
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,5-diethoxyaniline
SMILESCCOc1ccc(OCC)c(NCc2nnc(C)n2C)c1
InChIInChI=1S/C15H22N4O2/c1-5-20-12-7-8-14(21-6-2)13(9-12)16-10-15-18-17-11(3)19(15)4/h7-9,16H,5-6,10H2,1-4H3
InChIKeyCBFNCOXNKWZUIU-UHFFFAOYSA-N
XLogP2.53
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-2-methylaniline
CID 62872974
2,5-diethoxy-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63657607
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2,5-diethoxyaniline
CID 102830232
2,5-diethoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60696576
2,5-diethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527450
2,5-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 62128291
(2,5-diethoxyphenyl)hydrazine
CID 119006370
2,4-dichloro-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]aniline
CID 43524673
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,3-difluoroaniline
CID 61075747
2-chloro-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-fluoroaniline
CID 43524804
5-[(2,5-diethoxyanilino)methyl]thiophene-2-carbonitrile
CID 115743463
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-ethoxybenzoic acid
CID 43524865

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,5-diethoxyaniline?
The IUPAC name of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,5-diethoxyaniline (CID 43524683) is N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,5-diethoxyaniline.
What is the SMILES notation for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,5-diethoxyaniline?
The canonical SMILES for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,5-diethoxyaniline is CCOc1ccc(OCC)c(NCc2nnc(C)n2C)c1.
What is the InChIKey of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,5-diethoxyaniline?
The InChIKey is CBFNCOXNKWZUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-5-20-12-7-8-14(21-6-2)13(9-12)16-10-15-18-17-11(3)19(15)4/h7-9,16H,5-6,10H2,1-4H3.
What are the key properties of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,5-diethoxyaniline?
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,5-diethoxyaniline has a molecular weight of 290.37 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,5-diethoxyaniline is sourced from PubChem (CID 43524683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).