5-tert-butyl-3-methyl-1,4,5,6-tetrahydropyridazine

C9H18N2 — CID 167284051

IUPAC5-tert-butyl-3-methyl-1,4,5,6-tetrahydropyridazine
SMILESCC1=NNCC(C(C)(C)C)C1
InChIInChI=1S/C9H18N2/c1-7-5-8(6-10-11-7)9(2,3)4/h8,10H,5-6H2,1-4H3
InChIKeySYEMMOQGKHMTIE-UHFFFAOYSA-N
MW154.26 g/mol
LogP2.02
Rot. Bonds

About 5-tert-butyl-3-methyl-1,4,5,6-tetrahydropyridazine

5-tert-butyl-3-methyl-1,4,5,6-tetrahydropyridazine (PubChem CID 167284051) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 5-tert-butyl-3-methyl-1,4,5,6-tetrahydropyridazine.

Molecular Properties

Compound Name5-tert-butyl-3-methyl-1,4,5,6-tetrahydropyridazine
PubChem CID167284051
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name5-tert-butyl-3-methyl-1,4,5,6-tetrahydropyridazine
SMILESCC1=NNCC(C(C)(C)C)C1
InChIInChI=1S/C9H18N2/c1-7-5-8(6-10-11-7)9(2,3)4/h8,10H,5-6H2,1-4H3
InChIKeySYEMMOQGKHMTIE-UHFFFAOYSA-N
XLogP2.02
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-tert-butyl-3-methyl-4,5,6,7-tetrahydro-2H-indazole
CID 165463449
2-tert-butyl-5-methyl-1,2,3,4,5,6-hexahydropentalene
CID 163602854
5-tert-butyl-1,3-diazinane
CID 153432359
3-tert-butyl-5,7,8-trifluoro-1,2,3,4-tetrahydroquinoline
CID 63386242
(5R)-5-tert-butyl-2-methylcyclohexen-1-ol
CID 135082030
5-tert-butyl-N-pyrrolidin-3-yl-4,5,6,7-tetrahydro-1H-indazol-3-amine
CID 114697882
3,6-ditert-butyl-1,2,3,4-tetrahydroquinoline
CID 63386279
N,5-ditert-butyl-4,5,6,7-tetrahydro-1H-indazol-3-amine
CID 63049206
trans-(2R,6R)-4-tert-butyl-2,6-dimethylcyclohexan-1-one
CID 102330787
5-tert-butyl-3-methyl-4,5,6,7-tetrahydro-1-benzofuran
CID 158199396
3-tert-butyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 63386426
lithium (5R)-5-tert-butyl-2-methylcyclohexen-1-olate
CID 135082029

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-methyl-1,4,5,6-tetrahydropyridazine?
The IUPAC name of 5-tert-butyl-3-methyl-1,4,5,6-tetrahydropyridazine (CID 167284051) is 5-tert-butyl-3-methyl-1,4,5,6-tetrahydropyridazine.
What is the SMILES notation for 5-tert-butyl-3-methyl-1,4,5,6-tetrahydropyridazine?
The canonical SMILES for 5-tert-butyl-3-methyl-1,4,5,6-tetrahydropyridazine is CC1=NNCC(C(C)(C)C)C1.
What is the InChIKey of 5-tert-butyl-3-methyl-1,4,5,6-tetrahydropyridazine?
The InChIKey is SYEMMOQGKHMTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-7-5-8(6-10-11-7)9(2,3)4/h8,10H,5-6H2,1-4H3.
What are the key properties of 5-tert-butyl-3-methyl-1,4,5,6-tetrahydropyridazine?
5-tert-butyl-3-methyl-1,4,5,6-tetrahydropyridazine has a molecular weight of 154.26 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-methyl-1,4,5,6-tetrahydropyridazine is sourced from PubChem (CID 167284051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).