N-[1-(chloromethyl)cyclopropyl]-3-(difluoromethyl)pyrazin-2-amine

C9H10ClF2N3 — CID 130571055

IUPACN-[1-(chloromethyl)cyclopropyl]-3-(difluoromethyl)pyrazin-2-amine
SMILESFC(F)c1nccnc1NC1(CCl)CC1
InChIInChI=1S/C9H10ClF2N3/c10-5-9(1-2-9)15-8-6(7(11)12)13-3-4-14-8/h3-4,7H,1-2,5H2,(H,14,15)
InChIKeyBNVOHKMDJAPLEG-UHFFFAOYSA-N
MW233.65 g/mol
LogP2.60
Rot. Bonds4

About N-[1-(chloromethyl)cyclopropyl]-3-(difluoromethyl)pyrazin-2-amine

N-[1-(chloromethyl)cyclopropyl]-3-(difluoromethyl)pyrazin-2-amine (PubChem CID 130571055) has the molecular formula C9H10ClF2N3 and a molecular weight of 233.65 g/mol. Its IUPAC name is N-[1-(chloromethyl)cyclopropyl]-3-(difluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-[1-(chloromethyl)cyclopropyl]-3-(difluoromethyl)pyrazin-2-amine
PubChem CID130571055
Molecular FormulaC9H10ClF2N3
Molecular Weight233.65 g/mol
Exact Mass233.05
IUPAC NameN-[1-(chloromethyl)cyclopropyl]-3-(difluoromethyl)pyrazin-2-amine
SMILESFC(F)c1nccnc1NC1(CCl)CC1
InChIInChI=1S/C9H10ClF2N3/c10-5-9(1-2-9)15-8-6(7(11)12)13-3-4-14-8/h3-4,7H,1-2,5H2,(H,14,15)
InChIKeyBNVOHKMDJAPLEG-UHFFFAOYSA-N
XLogP2.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.65
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-[1-(chloromethyl)cyclopropyl]-3-(difluoromethyl)pyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)cyclopropyl]-3-(difluoromethyl)pyrazin-2-amine?
The IUPAC name of N-[1-(chloromethyl)cyclopropyl]-3-(difluoromethyl)pyrazin-2-amine (CID 130571055) is N-[1-(chloromethyl)cyclopropyl]-3-(difluoromethyl)pyrazin-2-amine.
What is the SMILES notation for N-[1-(chloromethyl)cyclopropyl]-3-(difluoromethyl)pyrazin-2-amine?
The canonical SMILES for N-[1-(chloromethyl)cyclopropyl]-3-(difluoromethyl)pyrazin-2-amine is FC(F)c1nccnc1NC1(CCl)CC1.
What is the InChIKey of N-[1-(chloromethyl)cyclopropyl]-3-(difluoromethyl)pyrazin-2-amine?
The InChIKey is BNVOHKMDJAPLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2N3/c10-5-9(1-2-9)15-8-6(7(11)12)13-3-4-14-8/h3-4,7H,1-2,5H2,(H,14,15).
What are the key properties of N-[1-(chloromethyl)cyclopropyl]-3-(difluoromethyl)pyrazin-2-amine?
N-[1-(chloromethyl)cyclopropyl]-3-(difluoromethyl)pyrazin-2-amine has a molecular weight of 233.65 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)cyclopropyl]-3-(difluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 130571055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).