1-[2-(5H-pyrrolo[2,3-b]pyrazin-6-yl)ethyl]cyclopropan-1-amine

C11H14N4 — CID 105454611

IUPAC1-[2-(5H-pyrrolo[2,3-b]pyrazin-6-yl)ethyl]cyclopropan-1-amine
SMILESNC1(CCc2cc3nccnc3[nH]2)CC1
InChIInChI=1S/C11H14N4/c12-11(3-4-11)2-1-8-7-9-10(15-8)14-6-5-13-9/h5-7H,1-4,12H2,(H,14,15)
InChIKeyMWDJIXUFUADTAH-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.38
Rot. Bonds3

About 1-[2-(5H-pyrrolo[2,3-b]pyrazin-6-yl)ethyl]cyclopropan-1-amine

1-[2-(5H-pyrrolo[2,3-b]pyrazin-6-yl)ethyl]cyclopropan-1-amine (PubChem CID 105454611) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-[2-(5H-pyrrolo[2,3-b]pyrazin-6-yl)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(5H-pyrrolo[2,3-b]pyrazin-6-yl)ethyl]cyclopropan-1-amine
PubChem CID105454611
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name1-[2-(5H-pyrrolo[2,3-b]pyrazin-6-yl)ethyl]cyclopropan-1-amine
SMILESNC1(CCc2cc3nccnc3[nH]2)CC1
InChIInChI=1S/C11H14N4/c12-11(3-4-11)2-1-8-7-9-10(15-8)14-6-5-13-9/h5-7H,1-4,12H2,(H,14,15)
InChIKeyMWDJIXUFUADTAH-UHFFFAOYSA-N
XLogP1.38
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5H-pyrrolo[2,3-b]pyrazin-6-yl)ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(5H-pyrrolo[2,3-b]pyrazin-6-yl)ethyl]cyclopropan-1-amine (CID 105454611) is 1-[2-(5H-pyrrolo[2,3-b]pyrazin-6-yl)ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(5H-pyrrolo[2,3-b]pyrazin-6-yl)ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(5H-pyrrolo[2,3-b]pyrazin-6-yl)ethyl]cyclopropan-1-amine is NC1(CCc2cc3nccnc3[nH]2)CC1.
What is the InChIKey of 1-[2-(5H-pyrrolo[2,3-b]pyrazin-6-yl)ethyl]cyclopropan-1-amine?
The InChIKey is MWDJIXUFUADTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c12-11(3-4-11)2-1-8-7-9-10(15-8)14-6-5-13-9/h5-7H,1-4,12H2,(H,14,15).
What are the key properties of 1-[2-(5H-pyrrolo[2,3-b]pyrazin-6-yl)ethyl]cyclopropan-1-amine?
1-[2-(5H-pyrrolo[2,3-b]pyrazin-6-yl)ethyl]cyclopropan-1-amine has a molecular weight of 202.26 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5H-pyrrolo[2,3-b]pyrazin-6-yl)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 105454611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).