1-[2-(3-chloroimidazo[1,5-a]pyrazin-1-yl)ethyl]cyclopropan-1-amine

C11H13ClN4 — CID 105498534

IUPAC1-[2-(3-chloroimidazo[1,5-a]pyrazin-1-yl)ethyl]cyclopropan-1-amine
SMILESNC1(CCc2nc(Cl)n3ccncc23)CC1
InChIInChI=1S/C11H13ClN4/c12-10-15-8(1-2-11(13)3-4-11)9-7-14-5-6-16(9)10/h5-7H,1-4,13H2
InChIKeyMDHDYCGWBSVOHV-UHFFFAOYSA-N
MW236.71 g/mol
LogP1.81
Rot. Bonds3

About 1-[2-(3-chloroimidazo[1,5-a]pyrazin-1-yl)ethyl]cyclopropan-1-amine

1-[2-(3-chloroimidazo[1,5-a]pyrazin-1-yl)ethyl]cyclopropan-1-amine (PubChem CID 105498534) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 1-[2-(3-chloroimidazo[1,5-a]pyrazin-1-yl)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(3-chloroimidazo[1,5-a]pyrazin-1-yl)ethyl]cyclopropan-1-amine
PubChem CID105498534
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name1-[2-(3-chloroimidazo[1,5-a]pyrazin-1-yl)ethyl]cyclopropan-1-amine
SMILESNC1(CCc2nc(Cl)n3ccncc23)CC1
InChIInChI=1S/C11H13ClN4/c12-10-15-8(1-2-11(13)3-4-11)9-7-14-5-6-16(9)10/h5-7H,1-4,13H2
InChIKeyMDHDYCGWBSVOHV-UHFFFAOYSA-N
XLogP1.81
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.71
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloroimidazo[1,5-a]pyrazin-1-yl)ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(3-chloroimidazo[1,5-a]pyrazin-1-yl)ethyl]cyclopropan-1-amine (CID 105498534) is 1-[2-(3-chloroimidazo[1,5-a]pyrazin-1-yl)ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(3-chloroimidazo[1,5-a]pyrazin-1-yl)ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(3-chloroimidazo[1,5-a]pyrazin-1-yl)ethyl]cyclopropan-1-amine is NC1(CCc2nc(Cl)n3ccncc23)CC1.
What is the InChIKey of 1-[2-(3-chloroimidazo[1,5-a]pyrazin-1-yl)ethyl]cyclopropan-1-amine?
The InChIKey is MDHDYCGWBSVOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c12-10-15-8(1-2-11(13)3-4-11)9-7-14-5-6-16(9)10/h5-7H,1-4,13H2.
What are the key properties of 1-[2-(3-chloroimidazo[1,5-a]pyrazin-1-yl)ethyl]cyclopropan-1-amine?
1-[2-(3-chloroimidazo[1,5-a]pyrazin-1-yl)ethyl]cyclopropan-1-amine has a molecular weight of 236.71 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloroimidazo[1,5-a]pyrazin-1-yl)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 105498534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).