8-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyrazin-6-amine

C12H18N6 — CID 80765580

IUPAC8-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyrazin-6-amine
SMILESCN1CCCN(c2nc(N)cn3ccnc23)CC1
InChIInChI=1S/C12H18N6/c1-16-4-2-5-17(8-7-16)12-11-14-3-6-18(11)9-10(13)15-12/h3,6,9H,2,4-5,7-8,13H2,1H3
InChIKeyRHXVSRSDVHCHCU-UHFFFAOYSA-N
MW246.32 g/mol
LogP0.45
Rot. Bonds1

About 8-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyrazin-6-amine

8-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyrazin-6-amine (PubChem CID 80765580) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 8-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyrazin-6-amine.

Molecular Properties

Compound Name8-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyrazin-6-amine
PubChem CID80765580
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name8-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyrazin-6-amine
SMILESCN1CCCN(c2nc(N)cn3ccnc23)CC1
InChIInChI=1S/C12H18N6/c1-16-4-2-5-17(8-7-16)12-11-14-3-6-18(11)9-10(13)15-12/h3,6,9H,2,4-5,7-8,13H2,1H3
InChIKeyRHXVSRSDVHCHCU-UHFFFAOYSA-N
XLogP0.45
TPSA62.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyrazin-6-amine?
The IUPAC name of 8-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyrazin-6-amine (CID 80765580) is 8-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyrazin-6-amine.
What is the SMILES notation for 8-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyrazin-6-amine?
The canonical SMILES for 8-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyrazin-6-amine is CN1CCCN(c2nc(N)cn3ccnc23)CC1.
What is the InChIKey of 8-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyrazin-6-amine?
The InChIKey is RHXVSRSDVHCHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-16-4-2-5-17(8-7-16)12-11-14-3-6-18(11)9-10(13)15-12/h3,6,9H,2,4-5,7-8,13H2,1H3.
What are the key properties of 8-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyrazin-6-amine?
8-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyrazin-6-amine has a molecular weight of 246.32 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyrazin-6-amine is sourced from PubChem (CID 80765580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).