3-pyridazin-4-ylpropane-1,2-diamine

C7H12N4 — CID 165462937

IUPAC3-pyridazin-4-ylpropane-1,2-diamine
SMILESNCC(N)Cc1ccnnc1
InChIInChI=1S/C7H12N4/c8-4-7(9)3-6-1-2-10-11-5-6/h1-2,5,7H,3-4,8-9H2
InChIKeyATGQAQCMPNHPNW-UHFFFAOYSA-N
MW152.20 g/mol
LogP-0.69
Rot. Bonds3

About 3-pyridazin-4-ylpropane-1,2-diamine

3-pyridazin-4-ylpropane-1,2-diamine (PubChem CID 165462937) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 3-pyridazin-4-ylpropane-1,2-diamine.

Molecular Properties

Compound Name3-pyridazin-4-ylpropane-1,2-diamine
PubChem CID165462937
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name3-pyridazin-4-ylpropane-1,2-diamine
SMILESNCC(N)Cc1ccnnc1
InChIInChI=1S/C7H12N4/c8-4-7(9)3-6-1-2-10-11-5-6/h1-2,5,7H,3-4,8-9H2
InChIKeyATGQAQCMPNHPNW-UHFFFAOYSA-N
XLogP-0.69
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-pyridazin-4-ylpropane-1,2-diamine?
The IUPAC name of 3-pyridazin-4-ylpropane-1,2-diamine (CID 165462937) is 3-pyridazin-4-ylpropane-1,2-diamine.
What is the SMILES notation for 3-pyridazin-4-ylpropane-1,2-diamine?
The canonical SMILES for 3-pyridazin-4-ylpropane-1,2-diamine is NCC(N)Cc1ccnnc1.
What is the InChIKey of 3-pyridazin-4-ylpropane-1,2-diamine?
The InChIKey is ATGQAQCMPNHPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c8-4-7(9)3-6-1-2-10-11-5-6/h1-2,5,7H,3-4,8-9H2.
What are the key properties of 3-pyridazin-4-ylpropane-1,2-diamine?
3-pyridazin-4-ylpropane-1,2-diamine has a molecular weight of 152.20 g/mol, XLogP of -0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridazin-4-ylpropane-1,2-diamine is sourced from PubChem (CID 165462937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).