1-ethyl-5,6,7,8-tetrahydrophthalazine

C10H14N2 — CID 21300331

IUPAC1-ethyl-5,6,7,8-tetrahydrophthalazine
SMILESCCc1nncc2c1CCCC2
InChIInChI=1S/C10H14N2/c1-2-10-9-6-4-3-5-8(9)7-11-12-10/h7H,2-6H2,1H3
InChIKeyBYOIDUJWTBARAC-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.92
Rot. Bonds1

About 1-ethyl-5,6,7,8-tetrahydrophthalazine

1-ethyl-5,6,7,8-tetrahydrophthalazine (PubChem CID 21300331) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 1-ethyl-5,6,7,8-tetrahydrophthalazine.

Molecular Properties

Compound Name1-ethyl-5,6,7,8-tetrahydrophthalazine
PubChem CID21300331
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name1-ethyl-5,6,7,8-tetrahydrophthalazine
SMILESCCc1nncc2c1CCCC2
InChIInChI=1S/C10H14N2/c1-2-10-9-6-4-3-5-8(9)7-11-12-10/h7H,2-6H2,1H3
InChIKeyBYOIDUJWTBARAC-UHFFFAOYSA-N
XLogP1.92
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5,6,7,8-tetrahydrophthalazine?
The IUPAC name of 1-ethyl-5,6,7,8-tetrahydrophthalazine (CID 21300331) is 1-ethyl-5,6,7,8-tetrahydrophthalazine.
What is the SMILES notation for 1-ethyl-5,6,7,8-tetrahydrophthalazine?
The canonical SMILES for 1-ethyl-5,6,7,8-tetrahydrophthalazine is CCc1nncc2c1CCCC2.
What is the InChIKey of 1-ethyl-5,6,7,8-tetrahydrophthalazine?
The InChIKey is BYOIDUJWTBARAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-2-10-9-6-4-3-5-8(9)7-11-12-10/h7H,2-6H2,1H3.
What are the key properties of 1-ethyl-5,6,7,8-tetrahydrophthalazine?
1-ethyl-5,6,7,8-tetrahydrophthalazine has a molecular weight of 162.24 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5,6,7,8-tetrahydrophthalazine is sourced from PubChem (CID 21300331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).