N-ethyl-3-methyl-4-(1,2,4-triazol-1-ylmethyl)aniline

C12H16N4 — CID 3490704

IUPACN-ethyl-3-methyl-4-(1,2,4-triazol-1-ylmethyl)aniline
SMILESCCNc1ccc(Cn2cncn2)c(C)c1
InChIInChI=1S/C12H16N4/c1-3-14-12-5-4-11(10(2)6-12)7-16-9-13-8-15-16/h4-6,8-9,14H,3,7H2,1-2H3
InChIKeyKTRKYGAYSVHXHT-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.07
Rot. Bonds4

About N-ethyl-3-methyl-4-(1,2,4-triazol-1-ylmethyl)aniline

N-ethyl-3-methyl-4-(1,2,4-triazol-1-ylmethyl)aniline (PubChem CID 3490704) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is N-ethyl-3-methyl-4-(1,2,4-triazol-1-ylmethyl)aniline.

Molecular Properties

Compound NameN-ethyl-3-methyl-4-(1,2,4-triazol-1-ylmethyl)aniline
PubChem CID3490704
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC NameN-ethyl-3-methyl-4-(1,2,4-triazol-1-ylmethyl)aniline
SMILESCCNc1ccc(Cn2cncn2)c(C)c1
InChIInChI=1S/C12H16N4/c1-3-14-12-5-4-11(10(2)6-12)7-16-9-13-8-15-16/h4-6,8-9,14H,3,7H2,1-2H3
InChIKeyKTRKYGAYSVHXHT-UHFFFAOYSA-N
XLogP2.07
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 143722818
N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]ethanamine
CID 62447936
N-ethyl-5-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine
CID 61224894
N-methyl-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 3322898
N-[[5-methyl-4-(1,2,4-triazol-1-ylmethyl)thiophen-2-yl]methyl]ethanamine
CID 80729952
N-[(4-methylphenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 43673355
2,4,5-trimethyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 50842138
N-ethyl-2-nitro-6-(1,2,4-triazol-1-ylmethyl)aniline
CID 107351727
2,3,5,6-tetramethyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 39000621
1-N,4-N-diethyl-2-methylbenzene-1,4-diamine
CID 18957572
N-[[3-methyl-5-(1,2,4-triazol-1-ylmethyl)furan-2-yl]methyl]ethanamine
CID 62449241
3-bromo-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 60791193

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-4-(1,2,4-triazol-1-ylmethyl)aniline?
The IUPAC name of N-ethyl-3-methyl-4-(1,2,4-triazol-1-ylmethyl)aniline (CID 3490704) is N-ethyl-3-methyl-4-(1,2,4-triazol-1-ylmethyl)aniline.
What is the SMILES notation for N-ethyl-3-methyl-4-(1,2,4-triazol-1-ylmethyl)aniline?
The canonical SMILES for N-ethyl-3-methyl-4-(1,2,4-triazol-1-ylmethyl)aniline is CCNc1ccc(Cn2cncn2)c(C)c1.
What is the InChIKey of N-ethyl-3-methyl-4-(1,2,4-triazol-1-ylmethyl)aniline?
The InChIKey is KTRKYGAYSVHXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-3-14-12-5-4-11(10(2)6-12)7-16-9-13-8-15-16/h4-6,8-9,14H,3,7H2,1-2H3.
What are the key properties of N-ethyl-3-methyl-4-(1,2,4-triazol-1-ylmethyl)aniline?
N-ethyl-3-methyl-4-(1,2,4-triazol-1-ylmethyl)aniline has a molecular weight of 216.29 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-4-(1,2,4-triazol-1-ylmethyl)aniline is sourced from PubChem (CID 3490704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).