6-chloro-N-prop-2-ynylpyridazin-3-amine

C7H6ClN3 — CID 60674901

IUPAC6-chloro-N-prop-2-ynylpyridazin-3-amine
SMILESC#CCNc1ccc(Cl)nn1
InChIInChI=1S/C7H6ClN3/c1-2-5-9-7-4-3-6(8)10-11-7/h1,3-4H,5H2,(H,9,11)
InChIKeyBUCYGOYVXBCCFN-UHFFFAOYSA-N
MW167.60 g/mol
LogP1.18
Rot. Bonds2

About 6-chloro-N-prop-2-ynylpyridazin-3-amine

6-chloro-N-prop-2-ynylpyridazin-3-amine (PubChem CID 60674901) has the molecular formula C7H6ClN3 and a molecular weight of 167.60 g/mol. Its IUPAC name is 6-chloro-N-prop-2-ynylpyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-prop-2-ynylpyridazin-3-amine
PubChem CID60674901
Molecular FormulaC7H6ClN3
Molecular Weight167.60 g/mol
Exact Mass167.03
IUPAC Name6-chloro-N-prop-2-ynylpyridazin-3-amine
SMILESC#CCNc1ccc(Cl)nn1
InChIInChI=1S/C7H6ClN3/c1-2-5-9-7-4-3-6(8)10-11-7/h1,3-4H,5H2,(H,9,11)
InChIKeyBUCYGOYVXBCCFN-UHFFFAOYSA-N
XLogP1.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.60
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-prop-2-ynylpyridazin-3-amine?
The IUPAC name of 6-chloro-N-prop-2-ynylpyridazin-3-amine (CID 60674901) is 6-chloro-N-prop-2-ynylpyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-prop-2-ynylpyridazin-3-amine?
The canonical SMILES for 6-chloro-N-prop-2-ynylpyridazin-3-amine is C#CCNc1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-prop-2-ynylpyridazin-3-amine?
The InChIKey is BUCYGOYVXBCCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3/c1-2-5-9-7-4-3-6(8)10-11-7/h1,3-4H,5H2,(H,9,11).
What are the key properties of 6-chloro-N-prop-2-ynylpyridazin-3-amine?
6-chloro-N-prop-2-ynylpyridazin-3-amine has a molecular weight of 167.60 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-prop-2-ynylpyridazin-3-amine is sourced from PubChem (CID 60674901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).