N-ethyl-4-methylphthalazin-1-amine

C11H13N3 — CID 43395120

IUPACN-ethyl-4-methylphthalazin-1-amine
SMILESCCNc1nnc(C)c2ccccc12
InChIInChI=1S/C11H13N3/c1-3-12-11-10-7-5-4-6-9(10)8(2)13-14-11/h4-7H,3H2,1-2H3,(H,12,14)
InChIKeyLJPOAWCOWJDEGW-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.37
Rot. Bonds2

About N-ethyl-4-methylphthalazin-1-amine

N-ethyl-4-methylphthalazin-1-amine (PubChem CID 43395120) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is N-ethyl-4-methylphthalazin-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methylphthalazin-1-amine
PubChem CID43395120
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC NameN-ethyl-4-methylphthalazin-1-amine
SMILESCCNc1nnc(C)c2ccccc12
InChIInChI=1S/C11H13N3/c1-3-12-11-10-7-5-4-6-9(10)8(2)13-14-11/h4-7H,3H2,1-2H3,(H,12,14)
InChIKeyLJPOAWCOWJDEGW-UHFFFAOYSA-N
XLogP2.37
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-4-methylphthalazin-1-amine
CID 43395112
N-hexyl-4-methylphthalazin-1-amine
CID 60642126
4-chloro-N-ethylphthalazin-1-amine
CID 62140798
2-[(4-methylphthalazin-1-yl)amino]acetic acid
CID 43419809
N-(3-chlorobutyl)-4-methylphthalazin-1-amine
CID 65028371
methyl 2-[(4-methylphthalazin-1-yl)amino]acetate
CID 43419766
N-(6-chlorohexyl)-4-methylphthalazin-1-amine
CID 107846136
2-methyl-3-[(4-methylphthalazin-1-yl)amino]propan-1-ol
CID 61362219
1-N,4-N-diethylbenzo[g]phthalazine-1,4-diamine
CID 19699654
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-methylphthalazin-1-amine
CID 114759162
5-[(4-methylphthalazin-1-yl)amino]pentan-2-ol
CID 107269340
N-(2-cyclobutylethyl)-4-methylphthalazin-1-amine
CID 115689915

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methylphthalazin-1-amine?
The IUPAC name of N-ethyl-4-methylphthalazin-1-amine (CID 43395120) is N-ethyl-4-methylphthalazin-1-amine.
What is the SMILES notation for N-ethyl-4-methylphthalazin-1-amine?
The canonical SMILES for N-ethyl-4-methylphthalazin-1-amine is CCNc1nnc(C)c2ccccc12.
What is the InChIKey of N-ethyl-4-methylphthalazin-1-amine?
The InChIKey is LJPOAWCOWJDEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-3-12-11-10-7-5-4-6-9(10)8(2)13-14-11/h4-7H,3H2,1-2H3,(H,12,14).
What are the key properties of N-ethyl-4-methylphthalazin-1-amine?
N-ethyl-4-methylphthalazin-1-amine has a molecular weight of 187.25 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methylphthalazin-1-amine is sourced from PubChem (CID 43395120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).