2-N-(4-methylphthalazin-1-yl)butane-1,2-diamine

C13H18N4 — CID 63765675

IUPAC2-N-(4-methylphthalazin-1-yl)butane-1,2-diamine
SMILESCCC(CN)Nc1nnc(C)c2ccccc12
InChIInChI=1S/C13H18N4/c1-3-10(8-14)15-13-12-7-5-4-6-11(12)9(2)16-17-13/h4-7,10H,3,8,14H2,1-2H3,(H,15,17)
InChIKeyDEPZPEITSXYEAC-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.09
Rot. Bonds4

About 2-N-(4-methylphthalazin-1-yl)butane-1,2-diamine

2-N-(4-methylphthalazin-1-yl)butane-1,2-diamine (PubChem CID 63765675) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-N-(4-methylphthalazin-1-yl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-methylphthalazin-1-yl)butane-1,2-diamine
PubChem CID63765675
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name2-N-(4-methylphthalazin-1-yl)butane-1,2-diamine
SMILESCCC(CN)Nc1nnc(C)c2ccccc12
InChIInChI=1S/C13H18N4/c1-3-10(8-14)15-13-12-7-5-4-6-11(12)9(2)16-17-13/h4-7,10H,3,8,14H2,1-2H3,(H,15,17)
InChIKeyDEPZPEITSXYEAC-UHFFFAOYSA-N
XLogP2.09
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methylphthalazin-1-yl)butane-1,2-diamine?
The IUPAC name of 2-N-(4-methylphthalazin-1-yl)butane-1,2-diamine (CID 63765675) is 2-N-(4-methylphthalazin-1-yl)butane-1,2-diamine.
What is the SMILES notation for 2-N-(4-methylphthalazin-1-yl)butane-1,2-diamine?
The canonical SMILES for 2-N-(4-methylphthalazin-1-yl)butane-1,2-diamine is CCC(CN)Nc1nnc(C)c2ccccc12.
What is the InChIKey of 2-N-(4-methylphthalazin-1-yl)butane-1,2-diamine?
The InChIKey is DEPZPEITSXYEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-3-10(8-14)15-13-12-7-5-4-6-11(12)9(2)16-17-13/h4-7,10H,3,8,14H2,1-2H3,(H,15,17).
What are the key properties of 2-N-(4-methylphthalazin-1-yl)butane-1,2-diamine?
2-N-(4-methylphthalazin-1-yl)butane-1,2-diamine has a molecular weight of 230.31 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methylphthalazin-1-yl)butane-1,2-diamine is sourced from PubChem (CID 63765675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).