[3-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridazin-4-yl]methanamine

C15H25N3O — CID 80507860

IUPAC[3-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridazin-4-yl]methanamine
SMILESCC1CCC(C(C)C)C(Oc2nnccc2CN)C1
InChIInChI=1S/C15H25N3O/c1-10(2)13-5-4-11(3)8-14(13)19-15-12(9-16)6-7-17-18-15/h6-7,10-11,13-14H,4-5,8-9,16H2,1-3H3
InChIKeyRUHGZXWXIUCMPV-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.77
Rot. Bonds4

About [3-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridazin-4-yl]methanamine

[3-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridazin-4-yl]methanamine (PubChem CID 80507860) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is [3-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[3-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridazin-4-yl]methanamine
PubChem CID80507860
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name[3-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridazin-4-yl]methanamine
SMILESCC1CCC(C(C)C)C(Oc2nnccc2CN)C1
InChIInChI=1S/C15H25N3O/c1-10(2)13-5-4-11(3)8-14(13)19-15-12(9-16)6-7-17-18-15/h6-7,10-11,13-14H,4-5,8-9,16H2,1-3H3
InChIKeyRUHGZXWXIUCMPV-UHFFFAOYSA-N
XLogP2.77
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridazin-4-yl]methanamine?
The IUPAC name of [3-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridazin-4-yl]methanamine (CID 80507860) is [3-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridazin-4-yl]methanamine.
What is the SMILES notation for [3-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridazin-4-yl]methanamine?
The canonical SMILES for [3-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridazin-4-yl]methanamine is CC1CCC(C(C)C)C(Oc2nnccc2CN)C1.
What is the InChIKey of [3-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridazin-4-yl]methanamine?
The InChIKey is RUHGZXWXIUCMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-10(2)13-5-4-11(3)8-14(13)19-15-12(9-16)6-7-17-18-15/h6-7,10-11,13-14H,4-5,8-9,16H2,1-3H3.
What are the key properties of [3-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridazin-4-yl]methanamine?
[3-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridazin-4-yl]methanamine has a molecular weight of 263.38 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridazin-4-yl]methanamine is sourced from PubChem (CID 80507860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).