2-methyl-3-propan-2-yl-7H-cyclohepta[b]pyrazine

C13H16N2 — CID 155742630

IUPAC2-methyl-3-propan-2-yl-7H-cyclohepta[b]pyrazine
SMILESCc1nc2c(nc1C(C)C)C=CCC=C2
InChIInChI=1S/C13H16N2/c1-9(2)13-10(3)14-11-7-5-4-6-8-12(11)15-13/h5-9H,4H2,1-3H3
InChIKeyQHCSKCISRGTPAJ-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.34
Rot. Bonds1

About 2-methyl-3-propan-2-yl-7H-cyclohepta[b]pyrazine

2-methyl-3-propan-2-yl-7H-cyclohepta[b]pyrazine (PubChem CID 155742630) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-methyl-3-propan-2-yl-7H-cyclohepta[b]pyrazine.

Molecular Properties

Compound Name2-methyl-3-propan-2-yl-7H-cyclohepta[b]pyrazine
PubChem CID155742630
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name2-methyl-3-propan-2-yl-7H-cyclohepta[b]pyrazine
SMILESCc1nc2c(nc1C(C)C)C=CCC=C2
InChIInChI=1S/C13H16N2/c1-9(2)13-10(3)14-11-7-5-4-6-8-12(11)15-13/h5-9H,4H2,1-3H3
InChIKeyQHCSKCISRGTPAJ-UHFFFAOYSA-N
XLogP3.34
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-propan-2-yl-7H-cyclohepta[b]pyrazine?
The IUPAC name of 2-methyl-3-propan-2-yl-7H-cyclohepta[b]pyrazine (CID 155742630) is 2-methyl-3-propan-2-yl-7H-cyclohepta[b]pyrazine.
What is the SMILES notation for 2-methyl-3-propan-2-yl-7H-cyclohepta[b]pyrazine?
The canonical SMILES for 2-methyl-3-propan-2-yl-7H-cyclohepta[b]pyrazine is Cc1nc2c(nc1C(C)C)C=CCC=C2.
What is the InChIKey of 2-methyl-3-propan-2-yl-7H-cyclohepta[b]pyrazine?
The InChIKey is QHCSKCISRGTPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-9(2)13-10(3)14-11-7-5-4-6-8-12(11)15-13/h5-9H,4H2,1-3H3.
What are the key properties of 2-methyl-3-propan-2-yl-7H-cyclohepta[b]pyrazine?
2-methyl-3-propan-2-yl-7H-cyclohepta[b]pyrazine has a molecular weight of 200.28 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-propan-2-yl-7H-cyclohepta[b]pyrazine is sourced from PubChem (CID 155742630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).