4-chloro-N-(pyridin-4-ylmethyl)phthalazin-1-amine

C14H11ClN4 — CID 60723090

IUPAC4-chloro-N-(pyridin-4-ylmethyl)phthalazin-1-amine
SMILESClc1nnc(NCc2ccncc2)c2ccccc12
InChIInChI=1S/C14H11ClN4/c15-13-11-3-1-2-4-12(11)14(19-18-13)17-9-10-5-7-16-8-6-10/h1-8H,9H2,(H,17,19)
InChIKeyDHVOSPIJLFCHCZ-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.29
Rot. Bonds3

About 4-chloro-N-(pyridin-4-ylmethyl)phthalazin-1-amine

4-chloro-N-(pyridin-4-ylmethyl)phthalazin-1-amine (PubChem CID 60723090) has the molecular formula C14H11ClN4 and a molecular weight of 270.72 g/mol. Its IUPAC name is 4-chloro-N-(pyridin-4-ylmethyl)phthalazin-1-amine.

Molecular Properties

Compound Name4-chloro-N-(pyridin-4-ylmethyl)phthalazin-1-amine
PubChem CID60723090
Molecular FormulaC14H11ClN4
Molecular Weight270.72 g/mol
Exact Mass270.07
IUPAC Name4-chloro-N-(pyridin-4-ylmethyl)phthalazin-1-amine
SMILESClc1nnc(NCc2ccncc2)c2ccccc12
InChIInChI=1S/C14H11ClN4/c15-13-11-3-1-2-4-12(11)14(19-18-13)17-9-10-5-7-16-8-6-10/h1-8H,9H2,(H,17,19)
InChIKeyDHVOSPIJLFCHCZ-UHFFFAOYSA-N
XLogP3.29
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(pyridin-4-ylmethyl)phthalazin-1-amine?
The IUPAC name of 4-chloro-N-(pyridin-4-ylmethyl)phthalazin-1-amine (CID 60723090) is 4-chloro-N-(pyridin-4-ylmethyl)phthalazin-1-amine.
What is the SMILES notation for 4-chloro-N-(pyridin-4-ylmethyl)phthalazin-1-amine?
The canonical SMILES for 4-chloro-N-(pyridin-4-ylmethyl)phthalazin-1-amine is Clc1nnc(NCc2ccncc2)c2ccccc12.
What is the InChIKey of 4-chloro-N-(pyridin-4-ylmethyl)phthalazin-1-amine?
The InChIKey is DHVOSPIJLFCHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4/c15-13-11-3-1-2-4-12(11)14(19-18-13)17-9-10-5-7-16-8-6-10/h1-8H,9H2,(H,17,19).
What are the key properties of 4-chloro-N-(pyridin-4-ylmethyl)phthalazin-1-amine?
4-chloro-N-(pyridin-4-ylmethyl)phthalazin-1-amine has a molecular weight of 270.72 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(pyridin-4-ylmethyl)phthalazin-1-amine is sourced from PubChem (CID 60723090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).