N-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline

C13H14N6 — CID 62357772

IUPACN-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline
SMILESCn1ccnc1CNc1ccccc1-n1cncn1
InChIInChI=1S/C13H14N6/c1-18-7-6-15-13(18)8-16-11-4-2-3-5-12(11)19-10-14-9-17-19/h2-7,9-10,16H,8H2,1H3
InChIKeyIYHVSYQGKNLUAX-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.61
Rot. Bonds4

About N-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline

N-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline (PubChem CID 62357772) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline
PubChem CID62357772
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline
SMILESCn1ccnc1CNc1ccccc1-n1cncn1
InChIInChI=1S/C13H14N6/c1-18-7-6-15-13(18)8-16-11-4-2-3-5-12(11)19-10-14-9-17-19/h2-7,9-10,16H,8H2,1H3
InChIKeyIYHVSYQGKNLUAX-UHFFFAOYSA-N
XLogP1.61
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-methylpyrrol-3-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 66398320
2-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087854
N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 43426538
N-[(1-methylimidazol-2-yl)methyl]naphthalen-1-amine
CID 43087970
N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 62749408
N-[(3,4-dimethylphenyl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 43784452
N-octyl-2-(1,2,4-triazol-1-yl)aniline
CID 43711465
3-[[2-(1,2,4-triazol-1-yl)anilino]methyl]benzene-1,2-diol
CID 61318676
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 43711706
N-[(1-ethylimidazol-2-yl)methyl]-2-imidazol-1-ylaniline
CID 62355714
2-methyl-6-[[2-(1,2,4-triazol-1-yl)anilino]methyl]phenol
CID 115951256
N-[(1-methylimidazol-2-yl)methyl]-2-prop-2-enylsulfanylaniline
CID 55024778

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline (CID 62357772) is N-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline is Cn1ccnc1CNc1ccccc1-n1cncn1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline?
The InChIKey is IYHVSYQGKNLUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c1-18-7-6-15-13(18)8-16-11-4-2-3-5-12(11)19-10-14-9-17-19/h2-7,9-10,16H,8H2,1H3.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline?
N-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline has a molecular weight of 254.30 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline is sourced from PubChem (CID 62357772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).