N-methyl-3-pyrrolidin-2-ylpyrrolo[1,2-a]pyrazin-1-amine

C12H16N4 — CID 73439918

IUPACN-methyl-3-pyrrolidin-2-ylpyrrolo[1,2-a]pyrazin-1-amine
SMILESCNc1nc(C2CCCN2)cn2cccc12
InChIInChI=1S/C12H16N4/c1-13-12-11-5-3-7-16(11)8-10(15-12)9-4-2-6-14-9/h3,5,7-9,14H,2,4,6H2,1H3,(H,13,15)
InChIKeySHZCJJVFMXHZCR-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.80
Rot. Bonds2

About N-methyl-3-pyrrolidin-2-ylpyrrolo[1,2-a]pyrazin-1-amine

N-methyl-3-pyrrolidin-2-ylpyrrolo[1,2-a]pyrazin-1-amine (PubChem CID 73439918) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is N-methyl-3-pyrrolidin-2-ylpyrrolo[1,2-a]pyrazin-1-amine.

Molecular Properties

Compound NameN-methyl-3-pyrrolidin-2-ylpyrrolo[1,2-a]pyrazin-1-amine
PubChem CID73439918
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC NameN-methyl-3-pyrrolidin-2-ylpyrrolo[1,2-a]pyrazin-1-amine
SMILESCNc1nc(C2CCCN2)cn2cccc12
InChIInChI=1S/C12H16N4/c1-13-12-11-5-3-7-16(11)8-10(15-12)9-4-2-6-14-9/h3,5,7-9,14H,2,4,6H2,1H3,(H,13,15)
InChIKeySHZCJJVFMXHZCR-UHFFFAOYSA-N
XLogP1.80
TPSA41.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-pyrrolidin-2-ylpyrrolo[1,2-a]pyrazin-1-amine?
The IUPAC name of N-methyl-3-pyrrolidin-2-ylpyrrolo[1,2-a]pyrazin-1-amine (CID 73439918) is N-methyl-3-pyrrolidin-2-ylpyrrolo[1,2-a]pyrazin-1-amine.
What is the SMILES notation for N-methyl-3-pyrrolidin-2-ylpyrrolo[1,2-a]pyrazin-1-amine?
The canonical SMILES for N-methyl-3-pyrrolidin-2-ylpyrrolo[1,2-a]pyrazin-1-amine is CNc1nc(C2CCCN2)cn2cccc12.
What is the InChIKey of N-methyl-3-pyrrolidin-2-ylpyrrolo[1,2-a]pyrazin-1-amine?
The InChIKey is SHZCJJVFMXHZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-13-12-11-5-3-7-16(11)8-10(15-12)9-4-2-6-14-9/h3,5,7-9,14H,2,4,6H2,1H3,(H,13,15).
What are the key properties of N-methyl-3-pyrrolidin-2-ylpyrrolo[1,2-a]pyrazin-1-amine?
N-methyl-3-pyrrolidin-2-ylpyrrolo[1,2-a]pyrazin-1-amine has a molecular weight of 216.29 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-pyrrolidin-2-ylpyrrolo[1,2-a]pyrazin-1-amine is sourced from PubChem (CID 73439918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).