N-but-3-yn-2-ylpyridazin-3-amine

C8H9N3 — CID 114383010

IUPACN-but-3-yn-2-ylpyridazin-3-amine
SMILESC#CC(C)Nc1cccnn1
InChIInChI=1S/C8H9N3/c1-3-7(2)10-8-5-4-6-9-11-8/h1,4-7H,2H3,(H,10,11)
InChIKeyLHKQQGMQLWUUMJ-UHFFFAOYSA-N
MW147.18 g/mol
LogP0.91
Rot. Bonds2

About N-but-3-yn-2-ylpyridazin-3-amine

N-but-3-yn-2-ylpyridazin-3-amine (PubChem CID 114383010) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is N-but-3-yn-2-ylpyridazin-3-amine.

Molecular Properties

Compound NameN-but-3-yn-2-ylpyridazin-3-amine
PubChem CID114383010
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC NameN-but-3-yn-2-ylpyridazin-3-amine
SMILESC#CC(C)Nc1cccnn1
InChIInChI=1S/C8H9N3/c1-3-7(2)10-8-5-4-6-9-11-8/h1,4-7H,2H3,(H,10,11)
InChIKeyLHKQQGMQLWUUMJ-UHFFFAOYSA-N
XLogP0.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-pentan-3-ylpyridazin-3-amine
CID 62482228
3-methyl-2-(pyridazin-3-ylamino)butanoic acid
CID 82239340
N-but-3-yn-2-ylpyrimidin-2-amine
CID 114382924
N-(1-ethoxypropan-2-yl)pyridazin-3-amine
CID 62483257
N-pyridazin-3-ylpyridazin-3-amine
CID 90728152
N-but-3-yn-2-yl-2-propan-2-ylpyrimidin-4-amine
CID 130621650
N-octan-2-ylpyridazin-3-amine
CID 62481019
6-(but-3-yn-2-ylamino)pyridine-2-carboxylic acid
CID 114417641
N-[1-(4-fluorophenyl)propan-2-yl]pyridazin-3-amine
CID 62995551
3-(but-3-yn-2-ylamino)pyridine-2-carbonitrile
CID 114417386
2-methyl-N-pyridazin-3-ylpropanamide
CID 126995895
N-but-3-yn-2-yl-3-methoxypyridin-2-amine
CID 114418045

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-ylpyridazin-3-amine?
The IUPAC name of N-but-3-yn-2-ylpyridazin-3-amine (CID 114383010) is N-but-3-yn-2-ylpyridazin-3-amine.
What is the SMILES notation for N-but-3-yn-2-ylpyridazin-3-amine?
The canonical SMILES for N-but-3-yn-2-ylpyridazin-3-amine is C#CC(C)Nc1cccnn1.
What is the InChIKey of N-but-3-yn-2-ylpyridazin-3-amine?
The InChIKey is LHKQQGMQLWUUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c1-3-7(2)10-8-5-4-6-9-11-8/h1,4-7H,2H3,(H,10,11).
What are the key properties of N-but-3-yn-2-ylpyridazin-3-amine?
N-but-3-yn-2-ylpyridazin-3-amine has a molecular weight of 147.18 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-ylpyridazin-3-amine is sourced from PubChem (CID 114383010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).