1-N,4-N-dicyclopentylphthalazine-1,4-diamine

C18H24N4 — CID 1207987

IUPAC1-N,4-N-dicyclopentylphthalazine-1,4-diamine
SMILESc1ccc2c(NC3CCCC3)nnc(NC3CCCC3)c2c1
InChIInChI=1S/C18H24N4/c1-2-8-13(7-1)19-17-15-11-5-6-12-16(15)18(22-21-17)20-14-9-3-4-10-14/h5-6,11-14H,1-4,7-10H2,(H,19,21)(H,20,22)
InChIKeySVSODTYYOBUDHQ-UHFFFAOYSA-N
MW296.42 g/mol
LogP4.34
Rot. Bonds4

About 1-N,4-N-dicyclopentylphthalazine-1,4-diamine

1-N,4-N-dicyclopentylphthalazine-1,4-diamine (PubChem CID 1207987) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 1-N,4-N-dicyclopentylphthalazine-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-dicyclopentylphthalazine-1,4-diamine
PubChem CID1207987
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name1-N,4-N-dicyclopentylphthalazine-1,4-diamine
SMILESc1ccc2c(NC3CCCC3)nnc(NC3CCCC3)c2c1
InChIInChI=1S/C18H24N4/c1-2-8-13(7-1)19-17-15-11-5-6-12-16(15)18(22-21-17)20-14-9-3-4-10-14/h5-6,11-14H,1-4,7-10H2,(H,19,21)(H,20,22)
InChIKeySVSODTYYOBUDHQ-UHFFFAOYSA-N
XLogP4.34
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dicyclopentylphthalazine-1,4-diamine?
The IUPAC name of 1-N,4-N-dicyclopentylphthalazine-1,4-diamine (CID 1207987) is 1-N,4-N-dicyclopentylphthalazine-1,4-diamine.
What is the SMILES notation for 1-N,4-N-dicyclopentylphthalazine-1,4-diamine?
The canonical SMILES for 1-N,4-N-dicyclopentylphthalazine-1,4-diamine is c1ccc2c(NC3CCCC3)nnc(NC3CCCC3)c2c1.
What is the InChIKey of 1-N,4-N-dicyclopentylphthalazine-1,4-diamine?
The InChIKey is SVSODTYYOBUDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-2-8-13(7-1)19-17-15-11-5-6-12-16(15)18(22-21-17)20-14-9-3-4-10-14/h5-6,11-14H,1-4,7-10H2,(H,19,21)(H,20,22).
What are the key properties of 1-N,4-N-dicyclopentylphthalazine-1,4-diamine?
1-N,4-N-dicyclopentylphthalazine-1,4-diamine has a molecular weight of 296.42 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dicyclopentylphthalazine-1,4-diamine is sourced from PubChem (CID 1207987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).