N-[(1-ethylpyrazol-4-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline

C15H18N6 — CID 103818685

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline
SMILESCCn1cc(CNc2ccc(-c3nncn3C)cc2)cn1
InChIInChI=1S/C15H18N6/c1-3-21-10-12(9-18-21)8-16-14-6-4-13(5-7-14)15-19-17-11-20(15)2/h4-7,9-11,16H,3,8H2,1-2H3
InChIKeyMFQPIRPNEMFZSR-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.31
Rot. Bonds5

About N-[(1-ethylpyrazol-4-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline

N-[(1-ethylpyrazol-4-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline (PubChem CID 103818685) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline
PubChem CID103818685
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline
SMILESCCn1cc(CNc2ccc(-c3nncn3C)cc2)cn1
InChIInChI=1S/C15H18N6/c1-3-21-10-12(9-18-21)8-16-14-6-4-13(5-7-14)15-19-17-11-20(15)2/h4-7,9-11,16H,3,8H2,1-2H3
InChIKeyMFQPIRPNEMFZSR-UHFFFAOYSA-N
XLogP2.31
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 62125641
N-[(1-ethylpyrazol-4-yl)methyl]-4-propylaniline
CID 62127247
3-[[4-(4-methyl-1,2,4-triazol-3-yl)anilino]methyl]phenol
CID 43686641
N-[(1-ethylpyrazol-4-yl)methyl]-4-nitroaniline
CID 103569272
ethyl 4-[(1-ethylpyrazol-4-yl)methylamino]benzoate
CID 103569198
N-[(1-ethylpyrazol-4-yl)methyl]-6-imidazol-1-ylpyridin-3-amine
CID 103934270
N-[(1-ethylpyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 103569241
N-[(1-ethenylpyrazol-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 106936294
1-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126964986
N-[(1-ethylpyrazol-4-yl)methyl]-6-methoxypyridin-3-amine
CID 62128287
N-[(5-bromothiophen-2-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 43686638
1-N-[(1-ethylpyrazol-4-yl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115378214

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline (CID 103818685) is N-[(1-ethylpyrazol-4-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline is CCn1cc(CNc2ccc(-c3nncn3C)cc2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline?
The InChIKey is MFQPIRPNEMFZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c1-3-21-10-12(9-18-21)8-16-14-6-4-13(5-7-14)15-19-17-11-20(15)2/h4-7,9-11,16H,3,8H2,1-2H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline?
N-[(1-ethylpyrazol-4-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline has a molecular weight of 282.35 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline is sourced from PubChem (CID 103818685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).