(6-tert-butylpyridazin-3-yl)-methylcyanamide

C10H14N4 — CID 116973760

IUPAC(6-tert-butylpyridazin-3-yl)-methylcyanamide
SMILESCN(C#N)c1ccc(C(C)(C)C)nn1
InChIInChI=1S/C10H14N4/c1-10(2,3)8-5-6-9(13-12-8)14(4)7-11/h5-6H,1-4H3
InChIKeyHMRXYAKKAGZTSU-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.69
Rot. Bonds1

About (6-tert-butylpyridazin-3-yl)-methylcyanamide

(6-tert-butylpyridazin-3-yl)-methylcyanamide (PubChem CID 116973760) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is (6-tert-butylpyridazin-3-yl)-methylcyanamide.

Molecular Properties

Compound Name(6-tert-butylpyridazin-3-yl)-methylcyanamide
PubChem CID116973760
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name(6-tert-butylpyridazin-3-yl)-methylcyanamide
SMILESCN(C#N)c1ccc(C(C)(C)C)nn1
InChIInChI=1S/C10H14N4/c1-10(2,3)8-5-6-9(13-12-8)14(4)7-11/h5-6H,1-4H3
InChIKeyHMRXYAKKAGZTSU-UHFFFAOYSA-N
XLogP1.69
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-tert-butylpyridazin-3-yl)-methylcyanamide?
The IUPAC name of (6-tert-butylpyridazin-3-yl)-methylcyanamide (CID 116973760) is (6-tert-butylpyridazin-3-yl)-methylcyanamide.
What is the SMILES notation for (6-tert-butylpyridazin-3-yl)-methylcyanamide?
The canonical SMILES for (6-tert-butylpyridazin-3-yl)-methylcyanamide is CN(C#N)c1ccc(C(C)(C)C)nn1.
What is the InChIKey of (6-tert-butylpyridazin-3-yl)-methylcyanamide?
The InChIKey is HMRXYAKKAGZTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-10(2,3)8-5-6-9(13-12-8)14(4)7-11/h5-6H,1-4H3.
What are the key properties of (6-tert-butylpyridazin-3-yl)-methylcyanamide?
(6-tert-butylpyridazin-3-yl)-methylcyanamide has a molecular weight of 190.25 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-tert-butylpyridazin-3-yl)-methylcyanamide is sourced from PubChem (CID 116973760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).