N'-ethyl-N'-(4-methylphthalazin-1-yl)ethane-1,2-diamine

C13H18N4 — CID 63765499

IUPACN'-ethyl-N'-(4-methylphthalazin-1-yl)ethane-1,2-diamine
SMILESCCN(CCN)c1nnc(C)c2ccccc12
InChIInChI=1S/C13H18N4/c1-3-17(9-8-14)13-12-7-5-4-6-11(12)10(2)15-16-13/h4-7H,3,8-9,14H2,1-2H3
InChIKeyZFWWBHWJMSYEAX-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.72
Rot. Bonds4

About N'-ethyl-N'-(4-methylphthalazin-1-yl)ethane-1,2-diamine

N'-ethyl-N'-(4-methylphthalazin-1-yl)ethane-1,2-diamine (PubChem CID 63765499) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is N'-ethyl-N'-(4-methylphthalazin-1-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(4-methylphthalazin-1-yl)ethane-1,2-diamine
PubChem CID63765499
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC NameN'-ethyl-N'-(4-methylphthalazin-1-yl)ethane-1,2-diamine
SMILESCCN(CCN)c1nnc(C)c2ccccc12
InChIInChI=1S/C13H18N4/c1-3-17(9-8-14)13-12-7-5-4-6-11(12)10(2)15-16-13/h4-7H,3,8-9,14H2,1-2H3
InChIKeyZFWWBHWJMSYEAX-UHFFFAOYSA-N
XLogP1.72
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(4-methylphthalazin-1-yl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(4-methylphthalazin-1-yl)ethane-1,2-diamine (CID 63765499) is N'-ethyl-N'-(4-methylphthalazin-1-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(4-methylphthalazin-1-yl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(4-methylphthalazin-1-yl)ethane-1,2-diamine is CCN(CCN)c1nnc(C)c2ccccc12.
What is the InChIKey of N'-ethyl-N'-(4-methylphthalazin-1-yl)ethane-1,2-diamine?
The InChIKey is ZFWWBHWJMSYEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-3-17(9-8-14)13-12-7-5-4-6-11(12)10(2)15-16-13/h4-7H,3,8-9,14H2,1-2H3.
What are the key properties of N'-ethyl-N'-(4-methylphthalazin-1-yl)ethane-1,2-diamine?
N'-ethyl-N'-(4-methylphthalazin-1-yl)ethane-1,2-diamine has a molecular weight of 230.31 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(4-methylphthalazin-1-yl)ethane-1,2-diamine is sourced from PubChem (CID 63765499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).