N,2-dimethyl-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine

C10H18N4 — CID 106550243

IUPACN,2-dimethyl-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine
SMILESCNCC(C)CNc1cc(C)cnn1
InChIInChI=1S/C10H18N4/c1-8-4-10(14-13-7-8)12-6-9(2)5-11-3/h4,7,9,11H,5-6H2,1-3H3,(H,12,14)
InChIKeyQBTNVEDCVWCLMB-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.05
Rot. Bonds5

About N,2-dimethyl-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine

N,2-dimethyl-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine (PubChem CID 106550243) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is N,2-dimethyl-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN,2-dimethyl-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine
PubChem CID106550243
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC NameN,2-dimethyl-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine
SMILESCNCC(C)CNc1cc(C)cnn1
InChIInChI=1S/C10H18N4/c1-8-4-10(14-13-7-8)12-6-9(2)5-11-3/h4,7,9,11H,5-6H2,1-3H3,(H,12,14)
InChIKeyQBTNVEDCVWCLMB-UHFFFAOYSA-N
XLogP1.05
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine?
The IUPAC name of N,2-dimethyl-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine (CID 106550243) is N,2-dimethyl-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine.
What is the SMILES notation for N,2-dimethyl-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine?
The canonical SMILES for N,2-dimethyl-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine is CNCC(C)CNc1cc(C)cnn1.
What is the InChIKey of N,2-dimethyl-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine?
The InChIKey is QBTNVEDCVWCLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-8-4-10(14-13-7-8)12-6-9(2)5-11-3/h4,7,9,11H,5-6H2,1-3H3,(H,12,14).
What are the key properties of N,2-dimethyl-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine?
N,2-dimethyl-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine has a molecular weight of 194.28 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine is sourced from PubChem (CID 106550243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).