6-pyrrolidin-3-ylpyridazine-3,4-diamine

C8H13N5 — CID 117105046

IUPAC6-pyrrolidin-3-ylpyridazine-3,4-diamine
SMILESNc1cc(C2CCNC2)nnc1N
InChIInChI=1S/C8H13N5/c9-6-3-7(12-13-8(6)10)5-1-2-11-4-5/h3,5,11H,1-2,4H2,(H2,9,12)(H2,10,13)
InChIKeyUJKJJCWKCQYLSV-UHFFFAOYSA-N
MW179.23 g/mol
LogP-0.28
Rot. Bonds1

About 6-pyrrolidin-3-ylpyridazine-3,4-diamine

6-pyrrolidin-3-ylpyridazine-3,4-diamine (PubChem CID 117105046) has the molecular formula C8H13N5 and a molecular weight of 179.23 g/mol. Its IUPAC name is 6-pyrrolidin-3-ylpyridazine-3,4-diamine.

Molecular Properties

Compound Name6-pyrrolidin-3-ylpyridazine-3,4-diamine
PubChem CID117105046
Molecular FormulaC8H13N5
Molecular Weight179.23 g/mol
Exact Mass179.12
IUPAC Name6-pyrrolidin-3-ylpyridazine-3,4-diamine
SMILESNc1cc(C2CCNC2)nnc1N
InChIInChI=1S/C8H13N5/c9-6-3-7(12-13-8(6)10)5-1-2-11-4-5/h3,5,11H,1-2,4H2,(H2,9,12)(H2,10,13)
InChIKeyUJKJJCWKCQYLSV-UHFFFAOYSA-N
XLogP-0.28
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.23
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-Cyclopentylpyridazine-3,4-diamine
CID 117107200
6-(Pyrrolidin-2-yl)pyridazin-3-amine
CID 117105722
6-(1,2,3,4-Tetrahydropyridin-4-yl)pyridazin-3-amine
CID 68297937
6-Pyrrolidin-3-ylpyridazin-3-amine
CID 117105039
6-(4-Piperidinyl)-3-pyridazinamine
CID 117105175
6-[(2E,6E)-7-methyl-1-(methylamino)nona-2,6-dien-4-yl]pyridazin-3-amine
CID 132044755
5-Methyl-6-(4-piperidinyl)-3-pyridazinamine dihydrochloride
CID 138674718
5-Methyl-6-piperidin-4-ylpyridazin-3-amine
CID 138674719
6-(Piperidin-4-yl)pyridazin-3-amine dihydrochloride
CID 138674912
6-(8-Azabicyclo[3.2.1]octan-3-yl)pyridazin-3-amine;dihydrochloride
CID 138675012
6-(8-Azabicyclo[3.2.1]octan-3-yl)pyridazin-3-amine
CID 138675013
4-Methyl-6-piperidin-4-ylpyridazin-3-amine
CID 139416331

Frequently Asked Questions

What is the IUPAC name of 6-pyrrolidin-3-ylpyridazine-3,4-diamine?
The IUPAC name of 6-pyrrolidin-3-ylpyridazine-3,4-diamine (CID 117105046) is 6-pyrrolidin-3-ylpyridazine-3,4-diamine.
What is the SMILES notation for 6-pyrrolidin-3-ylpyridazine-3,4-diamine?
The canonical SMILES for 6-pyrrolidin-3-ylpyridazine-3,4-diamine is Nc1cc(C2CCNC2)nnc1N.
What is the InChIKey of 6-pyrrolidin-3-ylpyridazine-3,4-diamine?
The InChIKey is UJKJJCWKCQYLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5/c9-6-3-7(12-13-8(6)10)5-1-2-11-4-5/h3,5,11H,1-2,4H2,(H2,9,12)(H2,10,13).
What are the key properties of 6-pyrrolidin-3-ylpyridazine-3,4-diamine?
6-pyrrolidin-3-ylpyridazine-3,4-diamine has a molecular weight of 179.23 g/mol, XLogP of -0.28, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrrolidin-3-ylpyridazine-3,4-diamine is sourced from PubChem (CID 117105046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).