4-chloro-N-methyl-N-pentan-2-ylphthalazin-1-amine

C14H18ClN3 — CID 62141729

IUPAC4-chloro-N-methyl-N-pentan-2-ylphthalazin-1-amine
SMILESCCCC(C)N(C)c1nnc(Cl)c2ccccc12
InChIInChI=1S/C14H18ClN3/c1-4-7-10(2)18(3)14-12-9-6-5-8-11(12)13(15)16-17-14/h5-6,8-10H,4,7H2,1-3H3
InChIKeyVZLVVBAUXLAGRO-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.91
Rot. Bonds4

About 4-chloro-N-methyl-N-pentan-2-ylphthalazin-1-amine

4-chloro-N-methyl-N-pentan-2-ylphthalazin-1-amine (PubChem CID 62141729) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-pentan-2-ylphthalazin-1-amine.

Molecular Properties

Compound Name4-chloro-N-methyl-N-pentan-2-ylphthalazin-1-amine
PubChem CID62141729
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name4-chloro-N-methyl-N-pentan-2-ylphthalazin-1-amine
SMILESCCCC(C)N(C)c1nnc(Cl)c2ccccc12
InChIInChI=1S/C14H18ClN3/c1-4-7-10(2)18(3)14-12-9-6-5-8-11(12)13(15)16-17-14/h5-6,8-10H,4,7H2,1-3H3
InChIKeyVZLVVBAUXLAGRO-UHFFFAOYSA-N
XLogP3.91
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-pentan-2-ylphthalazin-1-amine?
The IUPAC name of 4-chloro-N-methyl-N-pentan-2-ylphthalazin-1-amine (CID 62141729) is 4-chloro-N-methyl-N-pentan-2-ylphthalazin-1-amine.
What is the SMILES notation for 4-chloro-N-methyl-N-pentan-2-ylphthalazin-1-amine?
The canonical SMILES for 4-chloro-N-methyl-N-pentan-2-ylphthalazin-1-amine is CCCC(C)N(C)c1nnc(Cl)c2ccccc12.
What is the InChIKey of 4-chloro-N-methyl-N-pentan-2-ylphthalazin-1-amine?
The InChIKey is VZLVVBAUXLAGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-4-7-10(2)18(3)14-12-9-6-5-8-11(12)13(15)16-17-14/h5-6,8-10H,4,7H2,1-3H3.
What are the key properties of 4-chloro-N-methyl-N-pentan-2-ylphthalazin-1-amine?
4-chloro-N-methyl-N-pentan-2-ylphthalazin-1-amine has a molecular weight of 263.77 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-pentan-2-ylphthalazin-1-amine is sourced from PubChem (CID 62141729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).