N-[(Z)-1-(furan-2-yl)ethylideneamino]phthalazin-1-amine

C14H12N4O — CID 6418050

IUPACN-[(Z)-1-(furan-2-yl)ethylideneamino]phthalazin-1-amine
SMILESC/C(=N/Nc1nncc2ccccc12)c1ccco1
InChIInChI=1S/C14H12N4O/c1-10(13-7-4-8-19-13)16-18-14-12-6-3-2-5-11(12)9-15-17-14/h2-9H,1H3,(H,17,18)/b16-10-
InChIKeyBRWZCNHKDDOGEF-YBEGLDIGSA-N
MW252.28 g/mol
LogP3.06
Rot. Bonds3

About N-[(Z)-1-(furan-2-yl)ethylideneamino]phthalazin-1-amine

N-[(Z)-1-(furan-2-yl)ethylideneamino]phthalazin-1-amine (PubChem CID 6418050) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is N-[(Z)-1-(furan-2-yl)ethylideneamino]phthalazin-1-amine.

Molecular Properties

Compound NameN-[(Z)-1-(furan-2-yl)ethylideneamino]phthalazin-1-amine
PubChem CID6418050
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC NameN-[(Z)-1-(furan-2-yl)ethylideneamino]phthalazin-1-amine
SMILESC/C(=N/Nc1nncc2ccccc12)c1ccco1
InChIInChI=1S/C14H12N4O/c1-10(13-7-4-8-19-13)16-18-14-12-6-3-2-5-11(12)9-15-17-14/h2-9H,1H3,(H,17,18)/b16-10-
InChIKeyBRWZCNHKDDOGEF-YBEGLDIGSA-N
XLogP3.06
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[1-(4-methylphenyl)ethylideneamino]phthalazin-1-amine
CID 6795077
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]phthalazin-1-amine
CID 6411959
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]phthalazin-1-amine
CID 6418037
N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]phthalazin-1-amine
CID 6414863
N-[1-[5-(4-fluorophenyl)thiophen-2-yl]ethylideneamino]phthalazin-1-amine
CID 71899134
3,5-dichloro-N-[1-(furan-2-yl)ethylideneamino]pyridin-2-amine
CID 4833509
N-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]phthalazin-1-amine
CID 6418691
N-[(Z)-1-(furan-2-yl)ethylideneamino]-2-methylaniline
CID 9014700
N-(cyclopentylideneamino)phthalazin-1-amine
CID 7930061
[(Z)-1-(furan-2-yl)ethylideneamino]urea
CID 5354823
N-[(E)-1-(furan-2-yl)ethylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 90666204
N-(cycloheptylideneamino)phthalazin-1-amine
CID 4855843

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(furan-2-yl)ethylideneamino]phthalazin-1-amine?
The IUPAC name of N-[(Z)-1-(furan-2-yl)ethylideneamino]phthalazin-1-amine (CID 6418050) is N-[(Z)-1-(furan-2-yl)ethylideneamino]phthalazin-1-amine.
What is the SMILES notation for N-[(Z)-1-(furan-2-yl)ethylideneamino]phthalazin-1-amine?
The canonical SMILES for N-[(Z)-1-(furan-2-yl)ethylideneamino]phthalazin-1-amine is C/C(=N/Nc1nncc2ccccc12)c1ccco1.
What is the InChIKey of N-[(Z)-1-(furan-2-yl)ethylideneamino]phthalazin-1-amine?
The InChIKey is BRWZCNHKDDOGEF-YBEGLDIGSA-N. The full InChI is InChI=1S/C14H12N4O/c1-10(13-7-4-8-19-13)16-18-14-12-6-3-2-5-11(12)9-15-17-14/h2-9H,1H3,(H,17,18)/b16-10-.
What are the key properties of N-[(Z)-1-(furan-2-yl)ethylideneamino]phthalazin-1-amine?
N-[(Z)-1-(furan-2-yl)ethylideneamino]phthalazin-1-amine has a molecular weight of 252.28 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(furan-2-yl)ethylideneamino]phthalazin-1-amine is sourced from PubChem (CID 6418050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).