3-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline

C14H13N5 — CID 55110075

IUPAC3-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline
SMILESc1cc(NCc2cnccn2)cc(-n2ccnc2)c1
InChIInChI=1S/C14H13N5/c1-2-12(18-10-13-9-15-4-5-17-13)8-14(3-1)19-7-6-16-11-19/h1-9,11,18H,10H2
InChIKeyZIHFKYNYXWTWQM-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.27
Rot. Bonds4

About 3-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline

3-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline (PubChem CID 55110075) has the molecular formula C14H13N5 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline.

Molecular Properties

Compound Name3-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline
PubChem CID55110075
Molecular FormulaC14H13N5
Molecular Weight251.29 g/mol
Exact Mass251.12
IUPAC Name3-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline
SMILESc1cc(NCc2cnccn2)cc(-n2ccnc2)c1
InChIInChI=1S/C14H13N5/c1-2-12(18-10-13-9-15-4-5-17-13)8-14(3-1)19-7-6-16-11-19/h1-9,11,18H,10H2
InChIKeyZIHFKYNYXWTWQM-UHFFFAOYSA-N
XLogP2.27
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(pyrazin-2-ylmethyl)-3-pyrrol-1-ylaniline
CID 62761120
3-imidazol-1-yl-N-(pyridin-4-ylmethyl)aniline
CID 43678338
3-imidazol-1-yl-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104756648
3-imidazol-1-yl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 54868679
4-[(3-imidazol-1-ylanilino)methyl]phenol
CID 43678301
3-imidazol-1-yl-N-[(2-methylphenyl)methyl]aniline
CID 43678312
N-[(2-bromophenyl)methyl]-3-imidazol-1-ylaniline
CID 43678363
2-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline
CID 62763592
1-[3-(pyrazin-2-ylmethylamino)phenyl]imidazolidin-2-one
CID 62761809
N-[(4-fluoro-2-methylphenyl)methyl]-3-imidazol-1-ylaniline
CID 62134903
N-[(3-bromothiophen-2-yl)methyl]-3-imidazol-1-ylaniline
CID 115379889
3-imidazol-1-yl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66130531

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline?
The IUPAC name of 3-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline (CID 55110075) is 3-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline.
What is the SMILES notation for 3-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline?
The canonical SMILES for 3-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline is c1cc(NCc2cnccn2)cc(-n2ccnc2)c1.
What is the InChIKey of 3-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline?
The InChIKey is ZIHFKYNYXWTWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5/c1-2-12(18-10-13-9-15-4-5-17-13)8-14(3-1)19-7-6-16-11-19/h1-9,11,18H,10H2.
What are the key properties of 3-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline?
3-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline has a molecular weight of 251.29 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline is sourced from PubChem (CID 55110075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).