7-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine

C15H18N2 — CID 96603153

IUPAC7-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
SMILESCc1cccc(Cc2cc3n(c2)CCNC3)c1
InChIInChI=1S/C15H18N2/c1-12-3-2-4-13(7-12)8-14-9-15-10-16-5-6-17(15)11-14/h2-4,7,9,11,16H,5-6,8,10H2,1H3
InChIKeyKUICGRSILQMEDP-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.49
Rot. Bonds2

About 7-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine

7-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine (PubChem CID 96603153) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 7-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name7-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
PubChem CID96603153
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name7-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
SMILESCc1cccc(Cc2cc3n(c2)CCNC3)c1
InChIInChI=1S/C15H18N2/c1-12-3-2-4-13(7-12)8-14-9-15-10-16-5-6-17(15)11-14/h2-4,7,9,11,16H,5-6,8,10H2,1H3
InChIKeyKUICGRSILQMEDP-UHFFFAOYSA-N
XLogP2.49
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-(3-methylphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 82394348
1-[(3-methylphenyl)methyl]piperazine;dihydrochloride
CID 3014358
1-[2-(3-methylphenyl)ethyl]piperazine;dihydrochloride
CID 137346950
1-[5-[(3-methylphenyl)methyl]-1H-pyrazol-4-yl]piperazine
CID 117210074
1-[[3-(3,3-dimethylbutyl)phenyl]methyl]-3-[(3-methylphenyl)methyl]benzene
CID 140940309
1-[2-methyl-4-(3-methylphenyl)butan-2-yl]piperazine
CID 82295520
2-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136924665
3-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
CID 82471002
1,2-dimethyl-4-[(3-methylphenyl)methyl]benzene
CID 20706895
1-iodo-3-[(3-methylphenyl)methyl]benzene
CID 155312038
N-methyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylethanamine
CID 55137660
2-(3-methylphenyl)-N-(piperazin-1-ylmethyl)ethanamine
CID 115230156

Frequently Asked Questions

What is the IUPAC name of 7-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
The IUPAC name of 7-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine (CID 96603153) is 7-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 7-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
The canonical SMILES for 7-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine is Cc1cccc(Cc2cc3n(c2)CCNC3)c1.
What is the InChIKey of 7-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
The InChIKey is KUICGRSILQMEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-12-3-2-4-13(7-12)8-14-9-15-10-16-5-6-17(15)11-14/h2-4,7,9,11,16H,5-6,8,10H2,1H3.
What are the key properties of 7-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
7-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine has a molecular weight of 226.32 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 96603153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).