2-tert-butyl-1-pyridazin-3-ylguanidine

C9H15N5 — CID 11830294

IUPAC2-tert-butyl-1-pyridazin-3-ylguanidine
SMILESCC(C)(C)/N=C(\N)Nc1cccnn1
InChIInChI=1S/C9H15N5/c1-9(2,3)13-8(10)12-7-5-4-6-11-14-7/h4-6H,1-3H3,(H3,10,12,13,14)
InChIKeyXWTPJZJIXRNGFT-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.00
Rot. Bonds1

About 2-tert-butyl-1-pyridazin-3-ylguanidine

2-tert-butyl-1-pyridazin-3-ylguanidine (PubChem CID 11830294) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-tert-butyl-1-pyridazin-3-ylguanidine.

Molecular Properties

Compound Name2-tert-butyl-1-pyridazin-3-ylguanidine
PubChem CID11830294
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC Name2-tert-butyl-1-pyridazin-3-ylguanidine
SMILESCC(C)(C)/N=C(\N)Nc1cccnn1
InChIInChI=1S/C9H15N5/c1-9(2,3)13-8(10)12-7-5-4-6-11-14-7/h4-6H,1-3H3,(H3,10,12,13,14)
InChIKeyXWTPJZJIXRNGFT-UHFFFAOYSA-N
XLogP1.00
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

pyridazin-3-ylurea
CID 13080987
2-tert-butyl-1-(4-tert-butylphenyl)guanidine
CID 55068593
2,2-dimethyl-4-oxo-4-(pyridazin-3-ylamino)butanoic acid
CID 116786342
2-[2-(pyridazin-3-ylamino)ethyl]guanidine
CID 130785372
2-methyl-N-pyridazin-3-ylpropanamide
CID 126995895
3-amino-N-pyridazin-3-ylbutanamide
CID 126973262
N-pyridazin-3-ylpyridazin-3-amine
CID 90728152
N-(2,2-dimethylbutyl)pyridazin-3-amine
CID 103462378
2-methylpropyl N-pyridazin-3-ylcarbamate
CID 68882705
N-(2-methyl-2-methylsulfonylpropyl)pyridazin-3-amine
CID 79561473
4-amino-N-pyridazin-3-ylbenzamide
CID 116785969
N-pyridazin-3-ylprop-2-enamide
CID 116786507

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-pyridazin-3-ylguanidine?
The IUPAC name of 2-tert-butyl-1-pyridazin-3-ylguanidine (CID 11830294) is 2-tert-butyl-1-pyridazin-3-ylguanidine.
What is the SMILES notation for 2-tert-butyl-1-pyridazin-3-ylguanidine?
The canonical SMILES for 2-tert-butyl-1-pyridazin-3-ylguanidine is CC(C)(C)/N=C(\N)Nc1cccnn1.
What is the InChIKey of 2-tert-butyl-1-pyridazin-3-ylguanidine?
The InChIKey is XWTPJZJIXRNGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5/c1-9(2,3)13-8(10)12-7-5-4-6-11-14-7/h4-6H,1-3H3,(H3,10,12,13,14).
What are the key properties of 2-tert-butyl-1-pyridazin-3-ylguanidine?
2-tert-butyl-1-pyridazin-3-ylguanidine has a molecular weight of 193.25 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-pyridazin-3-ylguanidine is sourced from PubChem (CID 11830294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).