3-N-hex-5-ynylpyridazine-3,6-diamine

C10H14N4 — CID 106215719

IUPAC3-N-hex-5-ynylpyridazine-3,6-diamine
SMILESC#CCCCCNc1ccc(N)nn1
InChIInChI=1S/C10H14N4/c1-2-3-4-5-8-12-10-7-6-9(11)13-14-10/h1,6-7H,3-5,8H2,(H2,11,13)(H,12,14)
InChIKeyZLEHIKLGOFMTKL-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.27
Rot. Bonds5

About 3-N-hex-5-ynylpyridazine-3,6-diamine

3-N-hex-5-ynylpyridazine-3,6-diamine (PubChem CID 106215719) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-N-hex-5-ynylpyridazine-3,6-diamine.

Molecular Properties

Compound Name3-N-hex-5-ynylpyridazine-3,6-diamine
PubChem CID106215719
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name3-N-hex-5-ynylpyridazine-3,6-diamine
SMILESC#CCCCCNc1ccc(N)nn1
InChIInChI=1S/C10H14N4/c1-2-3-4-5-8-12-10-7-6-9(11)13-14-10/h1,6-7H,3-5,8H2,(H2,11,13)(H,12,14)
InChIKeyZLEHIKLGOFMTKL-UHFFFAOYSA-N
XLogP1.27
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(hex-5-ynylamino)pyridazine-3-carboxamide
CID 103757420
6-(hex-5-ynylamino)pyridazine-3-carboxylic acid
CID 106213762
N-hex-5-ynylaniline
CID 166956597
4-N-hex-5-ynylpyridine-3,4-diamine
CID 106215733
N-hex-5-ynylquinoxalin-2-amine
CID 113255983
5-bromo-N-pent-4-ynylpyridin-2-amine
CID 103704439
6-chloro-N-hex-5-ynylpyrazin-2-amine
CID 103757390
N-pent-4-ynylpyridin-2-amine
CID 103704473
6-(hex-5-ynylamino)pyridine-2-carboxylic acid
CID 106213743
2-N-hex-5-ynyl-4-methylpyridine-2,3-diamine
CID 106215731
6-ethoxy-N-hex-5-ynylpyridin-2-amine
CID 106214456
3-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridazine-3,6-diamine
CID 106411541

Frequently Asked Questions

What is the IUPAC name of 3-N-hex-5-ynylpyridazine-3,6-diamine?
The IUPAC name of 3-N-hex-5-ynylpyridazine-3,6-diamine (CID 106215719) is 3-N-hex-5-ynylpyridazine-3,6-diamine.
What is the SMILES notation for 3-N-hex-5-ynylpyridazine-3,6-diamine?
The canonical SMILES for 3-N-hex-5-ynylpyridazine-3,6-diamine is C#CCCCCNc1ccc(N)nn1.
What is the InChIKey of 3-N-hex-5-ynylpyridazine-3,6-diamine?
The InChIKey is ZLEHIKLGOFMTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-2-3-4-5-8-12-10-7-6-9(11)13-14-10/h1,6-7H,3-5,8H2,(H2,11,13)(H,12,14).
What are the key properties of 3-N-hex-5-ynylpyridazine-3,6-diamine?
3-N-hex-5-ynylpyridazine-3,6-diamine has a molecular weight of 190.25 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-hex-5-ynylpyridazine-3,6-diamine is sourced from PubChem (CID 106215719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).