6-chloro-N-(4-cyclopropylbutan-2-yl)pyrazin-2-amine

C11H16ClN3 — CID 133480425

IUPAC6-chloro-N-(4-cyclopropylbutan-2-yl)pyrazin-2-amine
SMILESCC(CCC1CC1)Nc1cncc(Cl)n1
InChIInChI=1S/C11H16ClN3/c1-8(2-3-9-4-5-9)14-11-7-13-6-10(12)15-11/h6-9H,2-5H2,1H3,(H,14,15)
InChIKeyCAMNHUIPCRXOHI-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.12
Rot. Bonds5

About 6-chloro-N-(4-cyclopropylbutan-2-yl)pyrazin-2-amine

6-chloro-N-(4-cyclopropylbutan-2-yl)pyrazin-2-amine (PubChem CID 133480425) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 6-chloro-N-(4-cyclopropylbutan-2-yl)pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(4-cyclopropylbutan-2-yl)pyrazin-2-amine
PubChem CID133480425
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name6-chloro-N-(4-cyclopropylbutan-2-yl)pyrazin-2-amine
SMILESCC(CCC1CC1)Nc1cncc(Cl)n1
InChIInChI=1S/C11H16ClN3/c1-8(2-3-9-4-5-9)14-11-7-13-6-10(12)15-11/h6-9H,2-5H2,1H3,(H,14,15)
InChIKeyCAMNHUIPCRXOHI-UHFFFAOYSA-N
XLogP3.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-cyclopropylbutan-2-yl)pyrazin-2-amine?
The IUPAC name of 6-chloro-N-(4-cyclopropylbutan-2-yl)pyrazin-2-amine (CID 133480425) is 6-chloro-N-(4-cyclopropylbutan-2-yl)pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-(4-cyclopropylbutan-2-yl)pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-(4-cyclopropylbutan-2-yl)pyrazin-2-amine is CC(CCC1CC1)Nc1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-(4-cyclopropylbutan-2-yl)pyrazin-2-amine?
The InChIKey is CAMNHUIPCRXOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-8(2-3-9-4-5-9)14-11-7-13-6-10(12)15-11/h6-9H,2-5H2,1H3,(H,14,15).
What are the key properties of 6-chloro-N-(4-cyclopropylbutan-2-yl)pyrazin-2-amine?
6-chloro-N-(4-cyclopropylbutan-2-yl)pyrazin-2-amine has a molecular weight of 225.72 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-cyclopropylbutan-2-yl)pyrazin-2-amine is sourced from PubChem (CID 133480425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).