N-(3-chlorophenyl)phthalazin-1-amine

C14H10ClN3 — CID 24986551

IUPACN-(3-chlorophenyl)phthalazin-1-amine
SMILESClc1cccc(Nc2nncc3ccccc23)c1
InChIInChI=1S/C14H10ClN3/c15-11-5-3-6-12(8-11)17-14-13-7-2-1-4-10(13)9-16-18-14/h1-9H,(H,17,18)
InChIKeyFFFDPQUJMGZELA-UHFFFAOYSA-N
MW255.71 g/mol
LogP4.03
Rot. Bonds2

About N-(3-chlorophenyl)phthalazin-1-amine

N-(3-chlorophenyl)phthalazin-1-amine (PubChem CID 24986551) has the molecular formula C14H10ClN3 and a molecular weight of 255.71 g/mol. Its IUPAC name is N-(3-chlorophenyl)phthalazin-1-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)phthalazin-1-amine
PubChem CID24986551
Molecular FormulaC14H10ClN3
Molecular Weight255.71 g/mol
Exact Mass255.06
IUPAC NameN-(3-chlorophenyl)phthalazin-1-amine
SMILESClc1cccc(Nc2nncc3ccccc23)c1
InChIInChI=1S/C14H10ClN3/c15-11-5-3-6-12(8-11)17-14-13-7-2-1-4-10(13)9-16-18-14/h1-9H,(H,17,18)
InChIKeyFFFDPQUJMGZELA-UHFFFAOYSA-N
XLogP4.03
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Vatalanib
CID 151194
MY 5445
CID 1348
4-(Phthalazin-1-ylamino)benzonitrile
CID 134142952
N-(4-fluorophenyl)phthalazin-1-amine
CID 134152648
N-[(3-chlorophenyl)methyl]-4-methylphthalazin-1-amine
CID 6416437
N-(4-chlorophenyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine
CID 6326416
1-(4-Chloroanilino)-4-(4-pyridylmethylamino)phthalazine
CID 6326421
1-(4-Chlorophenyl)-3-(phthalazin-1-ylamino)thiourea
CID 134133842
N-(3-bromophenyl)phthalazin-1-amine
CID 5328021
N-(4-chlorophenyl)-4-(pyridin-2-ylmethyl)phthalazin-1-amine
CID 6326417
4-(2-chlorophenyl)-N-(4-methylphenyl)phthalazin-1-amine
CID 71533180
4-(3-chlorophenyl)-N-(4-methylphenyl)phthalazin-1-amine
CID 71541484

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)phthalazin-1-amine?
The IUPAC name of N-(3-chlorophenyl)phthalazin-1-amine (CID 24986551) is N-(3-chlorophenyl)phthalazin-1-amine.
What is the SMILES notation for N-(3-chlorophenyl)phthalazin-1-amine?
The canonical SMILES for N-(3-chlorophenyl)phthalazin-1-amine is Clc1cccc(Nc2nncc3ccccc23)c1.
What is the InChIKey of N-(3-chlorophenyl)phthalazin-1-amine?
The InChIKey is FFFDPQUJMGZELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3/c15-11-5-3-6-12(8-11)17-14-13-7-2-1-4-10(13)9-16-18-14/h1-9H,(H,17,18).
What are the key properties of N-(3-chlorophenyl)phthalazin-1-amine?
N-(3-chlorophenyl)phthalazin-1-amine has a molecular weight of 255.71 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)phthalazin-1-amine is sourced from PubChem (CID 24986551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).