1-N-(5-cyclopropyl-6-phenylpyridazin-3-yl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine

C21H30N4 — CID 15678727

IUPAC1-N-(5-cyclopropyl-6-phenylpyridazin-3-yl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine
SMILESCCN(CC)C(C)(C)CNc1cc(C2CC2)c(-c2ccccc2)nn1
InChIInChI=1S/C21H30N4/c1-5-25(6-2)21(3,4)15-22-19-14-18(16-12-13-16)20(24-23-19)17-10-8-7-9-11-17/h7-11,14,16H,5-6,12-13,15H2,1-4H3,(H,22,23)
InChIKeyMMFITEKHJNCWSU-UHFFFAOYSA-N
MW338.50 g/mol
LogP4.55
Rot. Bonds8

About 1-N-(5-cyclopropyl-6-phenylpyridazin-3-yl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine

1-N-(5-cyclopropyl-6-phenylpyridazin-3-yl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine (PubChem CID 15678727) has the molecular formula C21H30N4 and a molecular weight of 338.50 g/mol. Its IUPAC name is 1-N-(5-cyclopropyl-6-phenylpyridazin-3-yl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(5-cyclopropyl-6-phenylpyridazin-3-yl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine
PubChem CID15678727
Molecular FormulaC21H30N4
Molecular Weight338.50 g/mol
Exact Mass338.25
IUPAC Name1-N-(5-cyclopropyl-6-phenylpyridazin-3-yl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine
SMILESCCN(CC)C(C)(C)CNc1cc(C2CC2)c(-c2ccccc2)nn1
InChIInChI=1S/C21H30N4/c1-5-25(6-2)21(3,4)15-22-19-14-18(16-12-13-16)20(24-23-19)17-10-8-7-9-11-17/h7-11,14,16H,5-6,12-13,15H2,1-4H3,(H,22,23)
InChIKeyMMFITEKHJNCWSU-UHFFFAOYSA-N
XLogP4.55
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-(5-cyclopropyl-6-phenylpyridazin-3-yl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine?
The IUPAC name of 1-N-(5-cyclopropyl-6-phenylpyridazin-3-yl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine (CID 15678727) is 1-N-(5-cyclopropyl-6-phenylpyridazin-3-yl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(5-cyclopropyl-6-phenylpyridazin-3-yl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-(5-cyclopropyl-6-phenylpyridazin-3-yl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine is CCN(CC)C(C)(C)CNc1cc(C2CC2)c(-c2ccccc2)nn1.
What is the InChIKey of 1-N-(5-cyclopropyl-6-phenylpyridazin-3-yl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine?
The InChIKey is MMFITEKHJNCWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4/c1-5-25(6-2)21(3,4)15-22-19-14-18(16-12-13-16)20(24-23-19)17-10-8-7-9-11-17/h7-11,14,16H,5-6,12-13,15H2,1-4H3,(H,22,23).
What are the key properties of 1-N-(5-cyclopropyl-6-phenylpyridazin-3-yl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine?
1-N-(5-cyclopropyl-6-phenylpyridazin-3-yl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine has a molecular weight of 338.50 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-cyclopropyl-6-phenylpyridazin-3-yl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine is sourced from PubChem (CID 15678727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).