3-methyl-4,5,6-tri(propan-2-yl)pyridazine

C14H24N2 — CID 129257429

IUPAC3-methyl-4,5,6-tri(propan-2-yl)pyridazine
SMILESCc1nnc(C(C)C)c(C(C)C)c1C(C)C
InChIInChI=1S/C14H24N2/c1-8(2)12-11(7)15-16-14(10(5)6)13(12)9(3)4/h8-10H,1-7H3
InChIKeyNULJEUXECIBJOD-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.16
Rot. Bonds3

About 3-methyl-4,5,6-tri(propan-2-yl)pyridazine

3-methyl-4,5,6-tri(propan-2-yl)pyridazine (PubChem CID 129257429) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 3-methyl-4,5,6-tri(propan-2-yl)pyridazine.

Molecular Properties

Compound Name3-methyl-4,5,6-tri(propan-2-yl)pyridazine
PubChem CID129257429
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name3-methyl-4,5,6-tri(propan-2-yl)pyridazine
SMILESCc1nnc(C(C)C)c(C(C)C)c1C(C)C
InChIInChI=1S/C14H24N2/c1-8(2)12-11(7)15-16-14(10(5)6)13(12)9(3)4/h8-10H,1-7H3
InChIKeyNULJEUXECIBJOD-UHFFFAOYSA-N
XLogP4.16
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Pyridazine, 3,4,6-trimethyl-
CID 12440100
Tetramethylpyridazine
CID 12750033
4,5-Diazaindan, 6,7-dimethyl-
CID 58890735
Pyridazine, 4-ethyl-3,6-dimethyl-
CID 143818473
1,4-Dimethyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine
CID 90182986
1,2-Diazabenzocycloheptane, 3-methyl-
CID 101878952
Cinnoline, 5,6,7,8-tetrahydro-3,4-dimethyl-
CID 165339766
3,4-Pentamethylene-5,6,7,8-tetrahydrocinnoline
CID 165339889
4-Methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine
CID 139297356
4-(2-Fluoropropan-2-yl)-3,6-dimethylpyridazine
CID 117865260
6-Tert-butyl-4-(2-fluoropropan-2-yl)-3-prop-1-ynylpyridazine
CID 121391281
6-Tert-butyl-4-(2-fluoropropan-2-yl)-3-methylpyridazine
CID 121391283

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4,5,6-tri(propan-2-yl)pyridazine?
The IUPAC name of 3-methyl-4,5,6-tri(propan-2-yl)pyridazine (CID 129257429) is 3-methyl-4,5,6-tri(propan-2-yl)pyridazine.
What is the SMILES notation for 3-methyl-4,5,6-tri(propan-2-yl)pyridazine?
The canonical SMILES for 3-methyl-4,5,6-tri(propan-2-yl)pyridazine is Cc1nnc(C(C)C)c(C(C)C)c1C(C)C.
What is the InChIKey of 3-methyl-4,5,6-tri(propan-2-yl)pyridazine?
The InChIKey is NULJEUXECIBJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-8(2)12-11(7)15-16-14(10(5)6)13(12)9(3)4/h8-10H,1-7H3.
What are the key properties of 3-methyl-4,5,6-tri(propan-2-yl)pyridazine?
3-methyl-4,5,6-tri(propan-2-yl)pyridazine has a molecular weight of 220.36 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4,5,6-tri(propan-2-yl)pyridazine is sourced from PubChem (CID 129257429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).