2-(6-benzyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-yl)ethanamine

C16H20N4 — CID 82379502

IUPAC2-(6-benzyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-yl)ethanamine
SMILESNCCc1cnc2c(n1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C16H20N4/c17-8-6-14-10-18-15-7-9-20(12-16(15)19-14)11-13-4-2-1-3-5-13/h1-5,10H,6-9,11-12,17H2
InChIKeyCDPSDVWDBGVBBA-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.54
Rot. Bonds4

About 2-(6-benzyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-yl)ethanamine

2-(6-benzyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-yl)ethanamine (PubChem CID 82379502) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(6-benzyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-yl)ethanamine.

Molecular Properties

Compound Name2-(6-benzyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-yl)ethanamine
PubChem CID82379502
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name2-(6-benzyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-yl)ethanamine
SMILESNCCc1cnc2c(n1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C16H20N4/c17-8-6-14-10-18-15-7-9-20(12-16(15)19-14)11-13-4-2-1-3-5-13/h1-5,10H,6-9,11-12,17H2
InChIKeyCDPSDVWDBGVBBA-UHFFFAOYSA-N
XLogP1.54
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)ethanamine
CID 83851705
4-(aminomethyl)-7-benzyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
CID 83870664
2-(6-benzyl-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-3-yl)ethanamine
CID 83870641
(5-benzyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)methanamine
CID 82386780
2-(6-benzyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-yl)ethanamine
CID 83870647
2-(6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-4,5-dihydroimidazol-1-amine
CID 154448860
6-[(1-benzylpyrazol-4-yl)methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912222
6-benzyl-3-chloro-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine
CID 118159187
(6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)methylcarbamic acid
CID 22335219
6-benzyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-1,6-naphthyridine
CID 22335156
3-(7-benzyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)propan-1-amine
CID 82379207
4-[6-[(1-benzylpyrazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline
CID 24912219

Frequently Asked Questions

What is the IUPAC name of 2-(6-benzyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-yl)ethanamine?
The IUPAC name of 2-(6-benzyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-yl)ethanamine (CID 82379502) is 2-(6-benzyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-yl)ethanamine.
What is the SMILES notation for 2-(6-benzyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-yl)ethanamine?
The canonical SMILES for 2-(6-benzyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-yl)ethanamine is NCCc1cnc2c(n1)CN(Cc1ccccc1)CC2.
What is the InChIKey of 2-(6-benzyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-yl)ethanamine?
The InChIKey is CDPSDVWDBGVBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c17-8-6-14-10-18-15-7-9-20(12-16(15)19-14)11-13-4-2-1-3-5-13/h1-5,10H,6-9,11-12,17H2.
What are the key properties of 2-(6-benzyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-yl)ethanamine?
2-(6-benzyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-yl)ethanamine has a molecular weight of 268.36 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-benzyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-yl)ethanamine is sourced from PubChem (CID 82379502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).