1-(1-cyclohexylidenepropyl)-2-phthalazin-1-ylhydrazine

C17H22N4 — CID 91376794

IUPAC1-(1-cyclohexylidenepropyl)-2-phthalazin-1-ylhydrazine
SMILESCCC(NNc1nncc2ccccc12)=C1CCCCC1
InChIInChI=1S/C17H22N4/c1-2-16(13-8-4-3-5-9-13)19-21-17-15-11-7-6-10-14(15)12-18-20-17/h6-7,10-12,19H,2-5,8-9H2,1H3,(H,20,21)
InChIKeyQYVXNDONKUQFIF-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.17
Rot. Bonds4

About 1-(1-cyclohexylidenepropyl)-2-phthalazin-1-ylhydrazine

1-(1-cyclohexylidenepropyl)-2-phthalazin-1-ylhydrazine (PubChem CID 91376794) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-(1-cyclohexylidenepropyl)-2-phthalazin-1-ylhydrazine.

Molecular Properties

Compound Name1-(1-cyclohexylidenepropyl)-2-phthalazin-1-ylhydrazine
PubChem CID91376794
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name1-(1-cyclohexylidenepropyl)-2-phthalazin-1-ylhydrazine
SMILESCCC(NNc1nncc2ccccc12)=C1CCCCC1
InChIInChI=1S/C17H22N4/c1-2-16(13-8-4-3-5-9-13)19-21-17-15-11-7-6-10-14(15)12-18-20-17/h6-7,10-12,19H,2-5,8-9H2,1H3,(H,20,21)
InChIKeyQYVXNDONKUQFIF-UHFFFAOYSA-N
XLogP4.17
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl N-(phthalazin-1-ylamino)carbamate;hydrochloride
CID 19604
N-(cycloheptylideneamino)phthalazin-1-amine
CID 4855843
N-(cyclopentylideneamino)phthalazin-1-amine
CID 7930061
N-[1-chloro-2-(chloromethyl)butan-2-yl]phthalazin-1-amine
CID 114010824
2-(phthalazin-1-ylamino)ethanol
CID 2065587
N-(2-methyl-3-pyrrolidin-1-ylpropyl)phthalazin-1-amine
CID 60966697
N-(cyclopropylmethyl)phthalazin-1-amine
CID 43419855
4-(phthalazin-1-ylamino)phenol
CID 4131718
[2-(phthalazin-1-ylamino)cyclohexyl]methanol
CID 106362271
[4-[(phthalazin-1-ylamino)methyl]phenyl]methanol
CID 107232258
2-(phthalazin-1-ylamino)cyclohexan-1-ol
CID 62358706
1-(2-morpholin-4-ium-4-ylethyl)-3-(phthalazin-1-ylamino)thiourea
CID 2396010

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylidenepropyl)-2-phthalazin-1-ylhydrazine?
The IUPAC name of 1-(1-cyclohexylidenepropyl)-2-phthalazin-1-ylhydrazine (CID 91376794) is 1-(1-cyclohexylidenepropyl)-2-phthalazin-1-ylhydrazine.
What is the SMILES notation for 1-(1-cyclohexylidenepropyl)-2-phthalazin-1-ylhydrazine?
The canonical SMILES for 1-(1-cyclohexylidenepropyl)-2-phthalazin-1-ylhydrazine is CCC(NNc1nncc2ccccc12)=C1CCCCC1.
What is the InChIKey of 1-(1-cyclohexylidenepropyl)-2-phthalazin-1-ylhydrazine?
The InChIKey is QYVXNDONKUQFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-2-16(13-8-4-3-5-9-13)19-21-17-15-11-7-6-10-14(15)12-18-20-17/h6-7,10-12,19H,2-5,8-9H2,1H3,(H,20,21).
What are the key properties of 1-(1-cyclohexylidenepropyl)-2-phthalazin-1-ylhydrazine?
1-(1-cyclohexylidenepropyl)-2-phthalazin-1-ylhydrazine has a molecular weight of 282.39 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylidenepropyl)-2-phthalazin-1-ylhydrazine is sourced from PubChem (CID 91376794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).