N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline

C13H14N6 — CID 43711706

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline
SMILESCc1[nH]ncc1CNc1ccccc1-n1cncn1
InChIInChI=1S/C13H14N6/c1-10-11(7-16-18-10)6-15-12-4-2-3-5-13(12)19-9-14-8-17-19/h2-5,7-9,15H,6H2,1H3,(H,16,18)
InChIKeyHFCROGLPXVBSDE-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.91
Rot. Bonds4

About N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline (PubChem CID 43711706) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline
PubChem CID43711706
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline
SMILESCc1[nH]ncc1CNc1ccccc1-n1cncn1
InChIInChI=1S/C13H14N6/c1-10-11(7-16-18-10)6-15-12-4-2-3-5-13(12)19-9-14-8-17-19/h2-5,7-9,15H,6H2,1H3,(H,16,18)
InChIKeyHFCROGLPXVBSDE-UHFFFAOYSA-N
XLogP1.91
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyrazol-1-ylaniline
CID 43705914
N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 43426538
N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 62749408
2-methyl-6-[[2-(1,2,4-triazol-1-yl)anilino]methyl]phenol
CID 115951256
3-[[2-(1,2,4-triazol-1-yl)anilino]methyl]benzene-1,2-diol
CID 61318676
N-[(3,4-dimethylphenyl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 43784452
2-chloro-6-[[2-(1,2,4-triazol-1-yl)anilino]methyl]phenol
CID 115951257
2,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 43663563
N-[(1-methylpyrrol-3-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 66398320
6-methyl-2-[[2-(1,2,4-triazol-1-yl)anilino]methyl]pyridin-3-ol
CID 79156738
N-[(4-bromo-3-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 66474810
N-[(4-fluoro-3-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 62120050

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline (CID 43711706) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline is Cc1[nH]ncc1CNc1ccccc1-n1cncn1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline?
The InChIKey is HFCROGLPXVBSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c1-10-11(7-16-18-10)6-15-12-4-2-3-5-13(12)19-9-14-8-17-19/h2-5,7-9,15H,6H2,1H3,(H,16,18).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline has a molecular weight of 254.30 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline is sourced from PubChem (CID 43711706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).