2-chloro-5,6-dimethyl-3-propan-2-ylpyrazine

C9H13ClN2 — CID 14964805

IUPAC2-chloro-5,6-dimethyl-3-propan-2-ylpyrazine
SMILESCc1nc(Cl)c(C(C)C)nc1C
InChIInChI=1S/C9H13ClN2/c1-5(2)8-9(10)12-7(4)6(3)11-8/h5H,1-4H3
InChIKeyNKQHGZGSMDXSFF-UHFFFAOYSA-N
MW184.67 g/mol
LogP2.87
Rot. Bonds1

About 2-chloro-5,6-dimethyl-3-propan-2-ylpyrazine

2-chloro-5,6-dimethyl-3-propan-2-ylpyrazine (PubChem CID 14964805) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is 2-chloro-5,6-dimethyl-3-propan-2-ylpyrazine.

Molecular Properties

Compound Name2-chloro-5,6-dimethyl-3-propan-2-ylpyrazine
PubChem CID14964805
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC Name2-chloro-5,6-dimethyl-3-propan-2-ylpyrazine
SMILESCc1nc(Cl)c(C(C)C)nc1C
InChIInChI=1S/C9H13ClN2/c1-5(2)8-9(10)12-7(4)6(3)11-8/h5H,1-4H3
InChIKeyNKQHGZGSMDXSFF-UHFFFAOYSA-N
XLogP2.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 12600392
CID 12600392
CID 84819877
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CID 12429637
CID 12429637
CID 12429638
CID 12429638
CID 134965891
CID 134965891
CID 12907199
CID 12907199
CID 12429636
CID 12429636
CID 13554885
CID 13554885
CID 129784218
CID 129784218
CID 134990072
CID 134990072
CID 10857036
CID 10857036
CID 86170280
CID 86170280

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5,6-dimethyl-3-propan-2-ylpyrazine?
The IUPAC name of 2-chloro-5,6-dimethyl-3-propan-2-ylpyrazine (CID 14964805) is 2-chloro-5,6-dimethyl-3-propan-2-ylpyrazine.
What is the SMILES notation for 2-chloro-5,6-dimethyl-3-propan-2-ylpyrazine?
The canonical SMILES for 2-chloro-5,6-dimethyl-3-propan-2-ylpyrazine is Cc1nc(Cl)c(C(C)C)nc1C.
What is the InChIKey of 2-chloro-5,6-dimethyl-3-propan-2-ylpyrazine?
The InChIKey is NKQHGZGSMDXSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2/c1-5(2)8-9(10)12-7(4)6(3)11-8/h5H,1-4H3.
What are the key properties of 2-chloro-5,6-dimethyl-3-propan-2-ylpyrazine?
2-chloro-5,6-dimethyl-3-propan-2-ylpyrazine has a molecular weight of 184.67 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5,6-dimethyl-3-propan-2-ylpyrazine is sourced from PubChem (CID 14964805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).