1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carbonitrile

C9H11N3 — CID 43810570

IUPAC1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carbonitrile
SMILESCC1NCCn2c(C#N)ccc21
InChIInChI=1S/C9H11N3/c1-7-9-3-2-8(6-10)12(9)5-4-11-7/h2-3,7,11H,4-5H2,1H3
InChIKeyPSZHEDMAZKKNDT-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.02
Rot. Bonds

About 1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carbonitrile

1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carbonitrile (PubChem CID 43810570) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carbonitrile.

Molecular Properties

Compound Name1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carbonitrile
PubChem CID43810570
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carbonitrile
SMILESCC1NCCn2c(C#N)ccc21
InChIInChI=1S/C9H11N3/c1-7-9-3-2-8(6-10)12(9)5-4-11-7/h2-3,7,11H,4-5H2,1H3
InChIKeyPSZHEDMAZKKNDT-UHFFFAOYSA-N
XLogP1.02
TPSA40.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carbonitrile?
The IUPAC name of 1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carbonitrile (CID 43810570) is 1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carbonitrile.
What is the SMILES notation for 1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carbonitrile?
The canonical SMILES for 1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carbonitrile is CC1NCCn2c(C#N)ccc21.
What is the InChIKey of 1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carbonitrile?
The InChIKey is PSZHEDMAZKKNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-7-9-3-2-8(6-10)12(9)5-4-11-7/h2-3,7,11H,4-5H2,1H3.
What are the key properties of 1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carbonitrile?
1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carbonitrile has a molecular weight of 161.21 g/mol, XLogP of 1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carbonitrile is sourced from PubChem (CID 43810570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).