N-(4-methyl-6-phenylpyridazin-3-yl)-N',N'-dipropylethane-1,2-diamine;oxalate

C23H28N4O8-4 — CID 20836587

IUPACN-(4-methyl-6-phenylpyridazin-3-yl)-N',N'-dipropylethane-1,2-diamine;oxalate
SMILESCCCN(CCC)CCNc1nnc(-c2ccccc2)cc1C.O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-]
InChIInChI=1S/C19H28N4.2C2H2O4/c1-4-12-23(13-5-2)14-11-20-19-16(3)15-18(21-22-19)17-9-7-6-8-10-17;2*3-1(4)2(5)6/h6-10,15H,4-5,11-14H2,1-3H3,(H,20,22);2*(H,3,4)(H,5,6)/p-4
InChIKeyNGBRVECKPWELJF-UHFFFAOYSA-J
MW488.50 g/mol
LogP-3.04
Rot. Bonds9

About N-(4-methyl-6-phenylpyridazin-3-yl)-N',N'-dipropylethane-1,2-diamine;oxalate

N-(4-methyl-6-phenylpyridazin-3-yl)-N',N'-dipropylethane-1,2-diamine;oxalate (PubChem CID 20836587) has the molecular formula C23H28N4O8-4 and a molecular weight of 488.50 g/mol. Its IUPAC name is N-(4-methyl-6-phenylpyridazin-3-yl)-N',N'-dipropylethane-1,2-diamine;oxalate.

Molecular Properties

Compound NameN-(4-methyl-6-phenylpyridazin-3-yl)-N',N'-dipropylethane-1,2-diamine;oxalate
PubChem CID20836587
Molecular FormulaC23H28N4O8-4
Molecular Weight488.50 g/mol
Exact Mass488.19
IUPAC NameN-(4-methyl-6-phenylpyridazin-3-yl)-N',N'-dipropylethane-1,2-diamine;oxalate
SMILESCCCN(CCC)CCNc1nnc(-c2ccccc2)cc1C.O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-]
InChIInChI=1S/C19H28N4.2C2H2O4/c1-4-12-23(13-5-2)14-11-20-19-16(3)15-18(21-22-19)17-9-7-6-8-10-17;2*3-1(4)2(5)6/h6-10,15H,4-5,11-14H2,1-3H3,(H,20,22);2*(H,3,4)(H,5,6)/p-4
InChIKeyNGBRVECKPWELJF-UHFFFAOYSA-J
XLogP-3.04
TPSA201.57 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.50
LogP ≤ 5-3.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride
CID 6410802
4-methyl-6-phenyl-N-(2-piperazin-1-ylethyl)pyridazin-3-amine
CID 59867380
4-methyl-N,6-diphenylpyridazin-3-amine
CID 59867404
1-N'-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,1-diamine;hydrate;dihydrochloride
CID 20836582
3,4-dimethyl-6-phenylpyridazine
CID 14040320
4-methoxy-N'-(4-methyl-6-phenylpyridazin-3-yl)benzohydrazide
CID 6410483
1-(2,6-diphenyl-4-pyridinyl)-2-(dipropylamino)ethanol
CID 90669357
2-[(3-phenyl-1,2-oxazol-5-yl)methyl-propylamino]acetic acid
CID 61006913
N-(2,4-dimethylphenyl)-N',N'-dipropylethane-1,2-diamine
CID 54806040
N,N-dipropylpropan-1-amine;toluene
CID 142167047
N-(5-chloro-2-methylphenyl)-N',N'-dipropylethane-1,2-diamine
CID 54810001
N-(1-phenylethyl)-N',N'-dipropylethane-1,2-diamine
CID 54806910

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-6-phenylpyridazin-3-yl)-N',N'-dipropylethane-1,2-diamine;oxalate?
The IUPAC name of N-(4-methyl-6-phenylpyridazin-3-yl)-N',N'-dipropylethane-1,2-diamine;oxalate (CID 20836587) is N-(4-methyl-6-phenylpyridazin-3-yl)-N',N'-dipropylethane-1,2-diamine;oxalate.
What is the SMILES notation for N-(4-methyl-6-phenylpyridazin-3-yl)-N',N'-dipropylethane-1,2-diamine;oxalate?
The canonical SMILES for N-(4-methyl-6-phenylpyridazin-3-yl)-N',N'-dipropylethane-1,2-diamine;oxalate is CCCN(CCC)CCNc1nnc(-c2ccccc2)cc1C.O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].
What is the InChIKey of N-(4-methyl-6-phenylpyridazin-3-yl)-N',N'-dipropylethane-1,2-diamine;oxalate?
The InChIKey is NGBRVECKPWELJF-UHFFFAOYSA-J. The full InChI is InChI=1S/C19H28N4.2C2H2O4/c1-4-12-23(13-5-2)14-11-20-19-16(3)15-18(21-22-19)17-9-7-6-8-10-17;2*3-1(4)2(5)6/h6-10,15H,4-5,11-14H2,1-3H3,(H,20,22);2*(H,3,4)(H,5,6)/p-4.
What are the key properties of N-(4-methyl-6-phenylpyridazin-3-yl)-N',N'-dipropylethane-1,2-diamine;oxalate?
N-(4-methyl-6-phenylpyridazin-3-yl)-N',N'-dipropylethane-1,2-diamine;oxalate has a molecular weight of 488.50 g/mol, XLogP of -3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-6-phenylpyridazin-3-yl)-N',N'-dipropylethane-1,2-diamine;oxalate is sourced from PubChem (CID 20836587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).