N-[1-(3-methylpyrazin-2-yl)ethyl]aniline

C13H15N3 — CID 102612936

IUPACN-[1-(3-methylpyrazin-2-yl)ethyl]aniline
SMILESCc1nccnc1C(C)Nc1ccccc1
InChIInChI=1S/C13H15N3/c1-10-13(15-9-8-14-10)11(2)16-12-6-4-3-5-7-12/h3-9,11,16H,1-2H3
InChIKeyYPNAAZUBGUOBDE-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.96
Rot. Bonds3

About N-[1-(3-methylpyrazin-2-yl)ethyl]aniline

N-[1-(3-methylpyrazin-2-yl)ethyl]aniline (PubChem CID 102612936) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-[1-(3-methylpyrazin-2-yl)ethyl]aniline.

Molecular Properties

Compound NameN-[1-(3-methylpyrazin-2-yl)ethyl]aniline
PubChem CID102612936
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC NameN-[1-(3-methylpyrazin-2-yl)ethyl]aniline
SMILESCc1nccnc1C(C)Nc1ccccc1
InChIInChI=1S/C13H15N3/c1-10-13(15-9-8-14-10)11(2)16-12-6-4-3-5-7-12/h3-9,11,16H,1-2H3
InChIKeyYPNAAZUBGUOBDE-UHFFFAOYSA-N
XLogP2.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline
CID 102613155
N-[1-(3-methylpyrazin-2-yl)ethyl]-4-(trifluoromethoxy)aniline
CID 102613167
2-[4-[1-(3-methylpyrazin-2-yl)ethylamino]phenoxy]acetonitrile
CID 102613239
2,3-dimethyl-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline
CID 102613140
N-[1-(3-methylpyrazin-2-yl)ethyl]-4-(1,3-oxazol-5-yl)aniline
CID 102613250
6-ethoxy-N-[1-(3-methylpyrazin-2-yl)ethyl]pyridin-3-amine
CID 102613263
N-[1-(3-methylpyrazin-2-yl)ethyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 102613252
3-bromo-4-methoxy-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline
CID 102613235
2-[1-(3-methylpyrazin-2-yl)ethylamino]-1-phenylethanol
CID 102612275
(2R)-2-[1-(3-methylpyrazin-2-yl)ethylamino]-2-phenylethanol
CID 102612924
(1S)-1-(2-bromophenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine
CID 102613113
N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43756143

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylpyrazin-2-yl)ethyl]aniline?
The IUPAC name of N-[1-(3-methylpyrazin-2-yl)ethyl]aniline (CID 102612936) is N-[1-(3-methylpyrazin-2-yl)ethyl]aniline.
What is the SMILES notation for N-[1-(3-methylpyrazin-2-yl)ethyl]aniline?
The canonical SMILES for N-[1-(3-methylpyrazin-2-yl)ethyl]aniline is Cc1nccnc1C(C)Nc1ccccc1.
What is the InChIKey of N-[1-(3-methylpyrazin-2-yl)ethyl]aniline?
The InChIKey is YPNAAZUBGUOBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-10-13(15-9-8-14-10)11(2)16-12-6-4-3-5-7-12/h3-9,11,16H,1-2H3.
What are the key properties of N-[1-(3-methylpyrazin-2-yl)ethyl]aniline?
N-[1-(3-methylpyrazin-2-yl)ethyl]aniline has a molecular weight of 213.28 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylpyrazin-2-yl)ethyl]aniline is sourced from PubChem (CID 102612936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).