(3S)-3,7-dimethyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine

C9H14N2 — CID 143883663

IUPAC(3S)-3,7-dimethyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
SMILESCc1cc2n(c1)C[C@H](C)NC2
InChIInChI=1S/C9H14N2/c1-7-3-9-4-10-8(2)6-11(9)5-7/h3,5,8,10H,4,6H2,1-2H3/t8-/m0/s1
InChIKeyMEVBTUHXJWUXDI-QMMMGPOBSA-N
MW150.22 g/mol
LogP1.29
Rot. Bonds

About (3S)-3,7-dimethyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine

(3S)-3,7-dimethyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine (PubChem CID 143883663) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (3S)-3,7-dimethyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name(3S)-3,7-dimethyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
PubChem CID143883663
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(3S)-3,7-dimethyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
SMILESCc1cc2n(c1)C[C@H](C)NC2
InChIInChI=1S/C9H14N2/c1-7-3-9-4-10-8(2)6-11(9)5-7/h3,5,8,10H,4,6H2,1-2H3/t8-/m0/s1
InChIKeyMEVBTUHXJWUXDI-QMMMGPOBSA-N
XLogP1.29
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-7-phenylmethoxy-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-8-one
CID 129165372
2-bromo-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 170730701
1-ethyl-3,7-dimethyl-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 82241399
6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine
CID 171035213
6-methyl-1,3-dihydropyrrolizin-2-one
CID 153280020
1-(3,5-dimethylphenyl)-3-methyl-1,4-diazocane
CID 117016333
1-cyclohexyl-3,7-dimethyl-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 82245752
2-methyl-1,2,3,4,5,6-hexahydropyrrolo[1,2-d][1,4]diazocine
CID 174246085
1-[(3,5-dimethylphenyl)methyl]-2-ethyl-2,5-dimethylpiperazine
CID 64846903
1-(2-bromo-5-methylphenyl)-3-methyl-1,4-diazepane
CID 82758192
1-(3-fluoro-5-methylphenyl)-3-methylpiperazine
CID 79047451
3,7-dimethyl-1-[(3-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 82249082

Frequently Asked Questions

What is the IUPAC name of (3S)-3,7-dimethyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
The IUPAC name of (3S)-3,7-dimethyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine (CID 143883663) is (3S)-3,7-dimethyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine.
What is the SMILES notation for (3S)-3,7-dimethyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
The canonical SMILES for (3S)-3,7-dimethyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine is Cc1cc2n(c1)C[C@H](C)NC2.
What is the InChIKey of (3S)-3,7-dimethyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
The InChIKey is MEVBTUHXJWUXDI-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H14N2/c1-7-3-9-4-10-8(2)6-11(9)5-7/h3,5,8,10H,4,6H2,1-2H3/t8-/m0/s1.
What are the key properties of (3S)-3,7-dimethyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
(3S)-3,7-dimethyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine has a molecular weight of 150.22 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3,7-dimethyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 143883663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).