N-(pyridin-2-ylmethylideneamino)phthalazin-1-amine

C14H11N5 — CID 24792239

IUPACN-(pyridin-2-ylmethylideneamino)phthalazin-1-amine
SMILESC(=NNc1nncc2ccccc12)c1ccccn1
InChIInChI=1S/C14H11N5/c1-2-7-13-11(5-1)9-16-18-14(13)19-17-10-12-6-3-4-8-15-12/h1-10H,(H,18,19)
InChIKeyYUPZQTSEMUTFOX-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.47
Rot. Bonds3

About N-(pyridin-2-ylmethylideneamino)phthalazin-1-amine

N-(pyridin-2-ylmethylideneamino)phthalazin-1-amine (PubChem CID 24792239) has the molecular formula C14H11N5 and a molecular weight of 249.28 g/mol. Its IUPAC name is N-(pyridin-2-ylmethylideneamino)phthalazin-1-amine.

Molecular Properties

Compound NameN-(pyridin-2-ylmethylideneamino)phthalazin-1-amine
PubChem CID24792239
Molecular FormulaC14H11N5
Molecular Weight249.28 g/mol
Exact Mass249.10
IUPAC NameN-(pyridin-2-ylmethylideneamino)phthalazin-1-amine
SMILESC(=NNc1nncc2ccccc12)c1ccccn1
InChIInChI=1S/C14H11N5/c1-2-7-13-11(5-1)9-16-18-14(13)19-17-10-12-6-3-4-8-15-12/h1-10H,(H,18,19)
InChIKeyYUPZQTSEMUTFOX-UHFFFAOYSA-N
XLogP2.47
TPSA63.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.47
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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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethylideneamino)phthalazin-1-amine?
The IUPAC name of N-(pyridin-2-ylmethylideneamino)phthalazin-1-amine (CID 24792239) is N-(pyridin-2-ylmethylideneamino)phthalazin-1-amine.
What is the SMILES notation for N-(pyridin-2-ylmethylideneamino)phthalazin-1-amine?
The canonical SMILES for N-(pyridin-2-ylmethylideneamino)phthalazin-1-amine is C(=NNc1nncc2ccccc12)c1ccccn1.
What is the InChIKey of N-(pyridin-2-ylmethylideneamino)phthalazin-1-amine?
The InChIKey is YUPZQTSEMUTFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5/c1-2-7-13-11(5-1)9-16-18-14(13)19-17-10-12-6-3-4-8-15-12/h1-10H,(H,18,19).
What are the key properties of N-(pyridin-2-ylmethylideneamino)phthalazin-1-amine?
N-(pyridin-2-ylmethylideneamino)phthalazin-1-amine has a molecular weight of 249.28 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethylideneamino)phthalazin-1-amine is sourced from PubChem (CID 24792239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).