6-benzyl-3-chloro-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine

C17H21ClN4 — CID 118159187

IUPAC6-benzyl-3-chloro-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine
SMILESCC(C)Nc1nc2c(nc1Cl)CN(Cc1ccccc1)CC2
InChIInChI=1S/C17H21ClN4/c1-12(2)19-17-16(18)20-15-11-22(9-8-14(15)21-17)10-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,19,21)
InChIKeyHYHNEJIIGMYWQO-UHFFFAOYSA-N
MW316.84 g/mol
LogP3.51
Rot. Bonds4

About 6-benzyl-3-chloro-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine

6-benzyl-3-chloro-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine (PubChem CID 118159187) has the molecular formula C17H21ClN4 and a molecular weight of 316.84 g/mol. Its IUPAC name is 6-benzyl-3-chloro-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine.

Molecular Properties

Compound Name6-benzyl-3-chloro-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine
PubChem CID118159187
Molecular FormulaC17H21ClN4
Molecular Weight316.84 g/mol
Exact Mass316.15
IUPAC Name6-benzyl-3-chloro-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine
SMILESCC(C)Nc1nc2c(nc1Cl)CN(Cc1ccccc1)CC2
InChIInChI=1S/C17H21ClN4/c1-12(2)19-17-16(18)20-15-11-22(9-8-14(15)21-17)10-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,19,21)
InChIKeyHYHNEJIIGMYWQO-UHFFFAOYSA-N
XLogP3.51
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.84
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-benzyl-3-chloro-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine with MolForge

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Related Compounds

6-benzyl-3-chloro-N-cyclopropyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid
CID 131734003
6-benzyl-2-[4-[(R)-(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine
CID 118159397
[1-[6-benzyl-3-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-yl]piperidin-4-yl]-(5-chloro-2-fluorophenyl)methanone;2,2,2-trifluoroacetic acid
CID 131734002
6-benzyl-3-[4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl]-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine
CID 118159184
1-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)ethanamine
CID 61337225
1-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)ethanamine
CID 83851704
5-benzyl-N-(2-methylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 62942181
6-benzyl-2-chloro-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 42870418
6-benzyl-N-butan-2-yl-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine
CID 118159279
7-benzyl-2-propan-2-yl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 46953773
6-benzyl-4-chloro-2-(chloromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 81217160
6-benzyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-1,6-naphthyridine
CID 22335156

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-3-chloro-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine?
The IUPAC name of 6-benzyl-3-chloro-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine (CID 118159187) is 6-benzyl-3-chloro-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine.
What is the SMILES notation for 6-benzyl-3-chloro-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine?
The canonical SMILES for 6-benzyl-3-chloro-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine is CC(C)Nc1nc2c(nc1Cl)CN(Cc1ccccc1)CC2.
What is the InChIKey of 6-benzyl-3-chloro-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine?
The InChIKey is HYHNEJIIGMYWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4/c1-12(2)19-17-16(18)20-15-11-22(9-8-14(15)21-17)10-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,19,21).
What are the key properties of 6-benzyl-3-chloro-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine?
6-benzyl-3-chloro-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine has a molecular weight of 316.84 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-3-chloro-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine is sourced from PubChem (CID 118159187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).