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

C19H28N4 — CID 6410809

IUPACN-(4-methyl-6-phenylpyridazin-3-yl)-N',N'-dipropylethane-1,2-diamine
SMILESCCCN(CCC)CCNc1nnc(-c2ccccc2)cc1C
InChIInChI=1S/C19H28N4/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/h6-10,15H,4-5,11-14H2,1-3H3,(H,20,22)
InChIKeyMSAMMXWFDDEMAO-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.99
Rot. Bonds9

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

N-(4-methyl-6-phenylpyridazin-3-yl)-N',N'-dipropylethane-1,2-diamine (PubChem CID 6410809) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is N-(4-methyl-6-phenylpyridazin-3-yl)-N',N'-dipropylethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-methyl-6-phenylpyridazin-3-yl)-N',N'-dipropylethane-1,2-diamine
PubChem CID6410809
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC NameN-(4-methyl-6-phenylpyridazin-3-yl)-N',N'-dipropylethane-1,2-diamine
SMILESCCCN(CCC)CCNc1nnc(-c2ccccc2)cc1C
InChIInChI=1S/C19H28N4/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/h6-10,15H,4-5,11-14H2,1-3H3,(H,20,22)
InChIKeyMSAMMXWFDDEMAO-UHFFFAOYSA-N
XLogP3.99
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-6-phenylpyridazin-3-yl)-N',N'-dipropylethane-1,2-diamine?
The IUPAC name of N-(4-methyl-6-phenylpyridazin-3-yl)-N',N'-dipropylethane-1,2-diamine (CID 6410809) is N-(4-methyl-6-phenylpyridazin-3-yl)-N',N'-dipropylethane-1,2-diamine.
What is the SMILES notation for N-(4-methyl-6-phenylpyridazin-3-yl)-N',N'-dipropylethane-1,2-diamine?
The canonical SMILES for N-(4-methyl-6-phenylpyridazin-3-yl)-N',N'-dipropylethane-1,2-diamine is CCCN(CCC)CCNc1nnc(-c2ccccc2)cc1C.
What is the InChIKey of N-(4-methyl-6-phenylpyridazin-3-yl)-N',N'-dipropylethane-1,2-diamine?
The InChIKey is MSAMMXWFDDEMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4/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/h6-10,15H,4-5,11-14H2,1-3H3,(H,20,22).
What are the key properties of N-(4-methyl-6-phenylpyridazin-3-yl)-N',N'-dipropylethane-1,2-diamine?
N-(4-methyl-6-phenylpyridazin-3-yl)-N',N'-dipropylethane-1,2-diamine has a molecular weight of 312.46 g/mol, XLogP of 3.99, 9 rotatable bonds, 1 hydrogen bond donors, and 4 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 is sourced from PubChem (CID 6410809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).