N-(2-chloroprop-2-enyl)-3,6-dimethylpyrazin-2-amine

C9H12ClN3 — CID 104695502

IUPACN-(2-chloroprop-2-enyl)-3,6-dimethylpyrazin-2-amine
SMILESC=C(Cl)CNc1nc(C)cnc1C
InChIInChI=1S/C9H12ClN3/c1-6(10)4-12-9-8(3)11-5-7(2)13-9/h5H,1,4H2,2-3H3,(H,12,13)
InChIKeyYLIANNMTAMTBPL-UHFFFAOYSA-N
MW197.67 g/mol
LogP2.26
Rot. Bonds3

About N-(2-chloroprop-2-enyl)-3,6-dimethylpyrazin-2-amine

N-(2-chloroprop-2-enyl)-3,6-dimethylpyrazin-2-amine (PubChem CID 104695502) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-3,6-dimethylpyrazin-2-amine.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-3,6-dimethylpyrazin-2-amine
PubChem CID104695502
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC NameN-(2-chloroprop-2-enyl)-3,6-dimethylpyrazin-2-amine
SMILESC=C(Cl)CNc1nc(C)cnc1C
InChIInChI=1S/C9H12ClN3/c1-6(10)4-12-9-8(3)11-5-7(2)13-9/h5H,1,4H2,2-3H3,(H,12,13)
InChIKeyYLIANNMTAMTBPL-UHFFFAOYSA-N
XLogP2.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-3,6-dimethylpyrazin-2-amine?
The IUPAC name of N-(2-chloroprop-2-enyl)-3,6-dimethylpyrazin-2-amine (CID 104695502) is N-(2-chloroprop-2-enyl)-3,6-dimethylpyrazin-2-amine.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-3,6-dimethylpyrazin-2-amine?
The canonical SMILES for N-(2-chloroprop-2-enyl)-3,6-dimethylpyrazin-2-amine is C=C(Cl)CNc1nc(C)cnc1C.
What is the InChIKey of N-(2-chloroprop-2-enyl)-3,6-dimethylpyrazin-2-amine?
The InChIKey is YLIANNMTAMTBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3/c1-6(10)4-12-9-8(3)11-5-7(2)13-9/h5H,1,4H2,2-3H3,(H,12,13).
What are the key properties of N-(2-chloroprop-2-enyl)-3,6-dimethylpyrazin-2-amine?
N-(2-chloroprop-2-enyl)-3,6-dimethylpyrazin-2-amine has a molecular weight of 197.67 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-3,6-dimethylpyrazin-2-amine is sourced from PubChem (CID 104695502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).