propane;3-prop-1-ynylpyridazine

C10H14N2 — CID 144710405

IUPACpropane;3-prop-1-ynylpyridazine
SMILESCC#Cc1cccnn1.CCC
InChIInChI=1S/C7H6N2.C3H8/c1-2-4-7-5-3-6-8-9-7;1-3-2/h3,5-6H,1H3;3H2,1-2H3
InChIKeyNYMZFAFXMYUVSX-UHFFFAOYSA-N
MW162.24 g/mol
LogP2.26
Rot. Bonds

About propane;3-prop-1-ynylpyridazine

propane;3-prop-1-ynylpyridazine (PubChem CID 144710405) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is propane;3-prop-1-ynylpyridazine.

Molecular Properties

Compound Namepropane;3-prop-1-ynylpyridazine
PubChem CID144710405
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Namepropane;3-prop-1-ynylpyridazine
SMILESCC#Cc1cccnn1.CCC
InChIInChI=1S/C7H6N2.C3H8/c1-2-4-7-5-3-6-8-9-7;1-3-2/h3,5-6H,1H3;3H2,1-2H3
InChIKeyNYMZFAFXMYUVSX-UHFFFAOYSA-N
XLogP2.26
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-phenylethynyl)pyridazine
CID 67754863
3-ethynylpyridazine
CID 66524480
1-pyridazin-3-ylundec-1-yne-5,7-dione
CID 175766166
2-pyridazin-3-ylpentan-3-ol
CID 63560604
3-propylpyridazine
CID 90878505
N-ethyl-N-methylpyridazin-3-amine
CID 90701393
3-(ethoxymethyl)pyridazine
CID 68982284
3-butylpyridazine;hydrochloride
CID 121232273
ethane;pyridazin-3-amine
CID 123792295
N-methyl-N-(pyridazin-3-ylmethyl)ethanamine
CID 70660670
N-pentan-3-ylpyridazin-3-amine
CID 62482228
2-methyl-4-(6-prop-1-ynyl-2-pyridinyl)pyrimidine
CID 164941747

Frequently Asked Questions

What is the IUPAC name of propane;3-prop-1-ynylpyridazine?
The IUPAC name of propane;3-prop-1-ynylpyridazine (CID 144710405) is propane;3-prop-1-ynylpyridazine.
What is the SMILES notation for propane;3-prop-1-ynylpyridazine?
The canonical SMILES for propane;3-prop-1-ynylpyridazine is CC#Cc1cccnn1.CCC.
What is the InChIKey of propane;3-prop-1-ynylpyridazine?
The InChIKey is NYMZFAFXMYUVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2.C3H8/c1-2-4-7-5-3-6-8-9-7;1-3-2/h3,5-6H,1H3;3H2,1-2H3.
What are the key properties of propane;3-prop-1-ynylpyridazine?
propane;3-prop-1-ynylpyridazine has a molecular weight of 162.24 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propane;3-prop-1-ynylpyridazine is sourced from PubChem (CID 144710405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).