N-(4-methylpent-3-en-2-ylideneamino)phthalazin-1-amine

C14H16N4 — CID 2463

IUPACN-(4-methylpent-3-en-2-ylideneamino)phthalazin-1-amine
SMILESCC(C)=CC(C)=NNc1nncc2ccccc12
InChIInChI=1S/C14H16N4/c1-10(2)8-11(3)16-18-14-13-7-5-4-6-12(13)9-15-17-14/h4-9H,1-3H3,(H,17,18)
InChIKeyDQGFCLJXYFXXIJ-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.38
Rot. Bonds3

About N-(4-methylpent-3-en-2-ylideneamino)phthalazin-1-amine

N-(4-methylpent-3-en-2-ylideneamino)phthalazin-1-amine (PubChem CID 2463) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is N-(4-methylpent-3-en-2-ylideneamino)phthalazin-1-amine.

Molecular Properties

Compound NameN-(4-methylpent-3-en-2-ylideneamino)phthalazin-1-amine
PubChem CID2463
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC NameN-(4-methylpent-3-en-2-ylideneamino)phthalazin-1-amine
SMILESCC(C)=CC(C)=NNc1nncc2ccccc12
InChIInChI=1S/C14H16N4/c1-10(2)8-11(3)16-18-14-13-7-5-4-6-12(13)9-15-17-14/h4-9H,1-3H3,(H,17,18)
InChIKeyDQGFCLJXYFXXIJ-UHFFFAOYSA-N
XLogP3.38
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Hydralazine
CID 3637
Hydralazine Hydrochloride
CID 9351
Dihydralazine
CID 10230
Todralazine
CID 5501
Todralazine hydrochloride
CID 19604
Phthalazine-1,4-diamine
CID 312341
N-methyl-2-(1-phthalazinyl)hydrazinecarbothioamide
CID 2972954
1-(2-Benzylidenehydrazinyl)phthalazine
CID 9603435
N-Benzylidene-N'-(4-chloro-2H-phthalazin-1-ylidene)-hydrazine
CID 6867765
1-(2-Phthalazin-1-ylhydrazino)phthalazine
CID 277728
1-Phthalazinamine
CID 29399
Hydrazinecarbothioamide, N-ethyl-2-(1-phthalazinyl)-
CID 6408948

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpent-3-en-2-ylideneamino)phthalazin-1-amine?
The IUPAC name of N-(4-methylpent-3-en-2-ylideneamino)phthalazin-1-amine (CID 2463) is N-(4-methylpent-3-en-2-ylideneamino)phthalazin-1-amine.
What is the SMILES notation for N-(4-methylpent-3-en-2-ylideneamino)phthalazin-1-amine?
The canonical SMILES for N-(4-methylpent-3-en-2-ylideneamino)phthalazin-1-amine is CC(C)=CC(C)=NNc1nncc2ccccc12.
What is the InChIKey of N-(4-methylpent-3-en-2-ylideneamino)phthalazin-1-amine?
The InChIKey is DQGFCLJXYFXXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-10(2)8-11(3)16-18-14-13-7-5-4-6-12(13)9-15-17-14/h4-9H,1-3H3,(H,17,18).
What are the key properties of N-(4-methylpent-3-en-2-ylideneamino)phthalazin-1-amine?
N-(4-methylpent-3-en-2-ylideneamino)phthalazin-1-amine has a molecular weight of 240.31 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpent-3-en-2-ylideneamino)phthalazin-1-amine is sourced from PubChem (CID 2463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).