6-methyl-2,8-dihydro-1H-cyclohepta[b]pyrazin-3-amine

C10H13N3 — CID 166783609

IUPAC6-methyl-2,8-dihydro-1H-cyclohepta[b]pyrazin-3-amine
SMILESCC1=CCC=C2NCC(N)=NC2=C1
InChIInChI=1S/C10H13N3/c1-7-3-2-4-8-9(5-7)13-10(11)6-12-8/h3-5,12H,2,6H2,1H3,(H2,11,13)
InChIKeyBLWMYPGNOKOYPY-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.06
Rot. Bonds

About 6-methyl-2,8-dihydro-1H-cyclohepta[b]pyrazin-3-amine

6-methyl-2,8-dihydro-1H-cyclohepta[b]pyrazin-3-amine (PubChem CID 166783609) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 6-methyl-2,8-dihydro-1H-cyclohepta[b]pyrazin-3-amine.

Molecular Properties

Compound Name6-methyl-2,8-dihydro-1H-cyclohepta[b]pyrazin-3-amine
PubChem CID166783609
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name6-methyl-2,8-dihydro-1H-cyclohepta[b]pyrazin-3-amine
SMILESCC1=CCC=C2NCC(N)=NC2=C1
InChIInChI=1S/C10H13N3/c1-7-3-2-4-8-9(5-7)13-10(11)6-12-8/h3-5,12H,2,6H2,1H3,(H2,11,13)
InChIKeyBLWMYPGNOKOYPY-UHFFFAOYSA-N
XLogP1.06
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,8-dihydro-1H-cyclohepta[b]pyrazin-3-amine?
The IUPAC name of 6-methyl-2,8-dihydro-1H-cyclohepta[b]pyrazin-3-amine (CID 166783609) is 6-methyl-2,8-dihydro-1H-cyclohepta[b]pyrazin-3-amine.
What is the SMILES notation for 6-methyl-2,8-dihydro-1H-cyclohepta[b]pyrazin-3-amine?
The canonical SMILES for 6-methyl-2,8-dihydro-1H-cyclohepta[b]pyrazin-3-amine is CC1=CCC=C2NCC(N)=NC2=C1.
What is the InChIKey of 6-methyl-2,8-dihydro-1H-cyclohepta[b]pyrazin-3-amine?
The InChIKey is BLWMYPGNOKOYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-7-3-2-4-8-9(5-7)13-10(11)6-12-8/h3-5,12H,2,6H2,1H3,(H2,11,13).
What are the key properties of 6-methyl-2,8-dihydro-1H-cyclohepta[b]pyrazin-3-amine?
6-methyl-2,8-dihydro-1H-cyclohepta[b]pyrazin-3-amine has a molecular weight of 175.23 g/mol, XLogP of 1.06, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,8-dihydro-1H-cyclohepta[b]pyrazin-3-amine is sourced from PubChem (CID 166783609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).