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

C14H16N6 — CID 103818746

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline
SMILESCCn1cc(CNc2cccc(-n3cnnc3)c2)cn1
InChIInChI=1S/C14H16N6/c1-2-20-9-12(8-18-20)7-15-13-4-3-5-14(6-13)19-10-16-17-11-19/h3-6,8-11,15H,2,7H2,1H3
InChIKeyIFXABZXMTJLPMS-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.10
Rot. Bonds5

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

N-[(1-ethylpyrazol-4-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline (PubChem CID 103818746) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline
PubChem CID103818746
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline
SMILESCCn1cc(CNc2cccc(-n3cnnc3)c2)cn1
InChIInChI=1S/C14H16N6/c1-2-20-9-12(8-18-20)7-15-13-4-3-5-14(6-13)19-10-16-17-11-19/h3-6,8-11,15H,2,7H2,1H3
InChIKeyIFXABZXMTJLPMS-UHFFFAOYSA-N
XLogP2.10
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(diethylaminomethyl)-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 103720547
3-imidazol-1-yl-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103818766
N-[(1-ethylpyrazol-4-yl)methyl]-3-(methoxymethyl)aniline
CID 62126525
N-[(1-propylpyrazol-4-yl)methyl]-3-(tetrazol-1-yl)aniline
CID 103818160
N-[(2-ethylphenyl)methyl]-3-(1,2,4-triazol-4-yl)aniline
CID 62391060
N-[(3-methoxyphenyl)methyl]-3-(1,2,4-triazol-4-yl)aniline
CID 43691927
N-[(1-ethylpyrazol-4-yl)methyl]-4-propylaniline
CID 62127247
tert-butyl N-[3-[(1-ethylpyrazol-4-yl)methylamino]phenyl]carbamate
CID 107239945
4-[[3-(1,2,4-triazol-4-yl)anilino]methyl]benzene-1,2-diol
CID 43691958
1-N-[(1-ethylpyrazol-4-yl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115378214
3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 62126887
4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 62125641

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline (CID 103818746) is N-[(1-ethylpyrazol-4-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline is CCn1cc(CNc2cccc(-n3cnnc3)c2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline?
The InChIKey is IFXABZXMTJLPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-2-20-9-12(8-18-20)7-15-13-4-3-5-14(6-13)19-10-16-17-11-19/h3-6,8-11,15H,2,7H2,1H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline?
N-[(1-ethylpyrazol-4-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline has a molecular weight of 268.32 g/mol, XLogP of 2.10, 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]-3-(1,2,4-triazol-4-yl)aniline is sourced from PubChem (CID 103818746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).