N-(oxan-4-yl)-5-propan-2-ylpyridazin-3-amine

C12H19N3O — CID 126724648

IUPACN-(oxan-4-yl)-5-propan-2-ylpyridazin-3-amine
SMILESCC(C)c1cnnc(NC2CCOCC2)c1
InChIInChI=1S/C12H19N3O/c1-9(2)10-7-12(15-13-8-10)14-11-3-5-16-6-4-11/h7-9,11H,3-6H2,1-2H3,(H,14,15)
InChIKeyBNPBHERMAJDNIS-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.19
Rot. Bonds3

About N-(oxan-4-yl)-5-propan-2-ylpyridazin-3-amine

N-(oxan-4-yl)-5-propan-2-ylpyridazin-3-amine (PubChem CID 126724648) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(oxan-4-yl)-5-propan-2-ylpyridazin-3-amine.

Molecular Properties

Compound NameN-(oxan-4-yl)-5-propan-2-ylpyridazin-3-amine
PubChem CID126724648
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-(oxan-4-yl)-5-propan-2-ylpyridazin-3-amine
SMILESCC(C)c1cnnc(NC2CCOCC2)c1
InChIInChI=1S/C12H19N3O/c1-9(2)10-7-12(15-13-8-10)14-11-3-5-16-6-4-11/h7-9,11H,3-6H2,1-2H3,(H,14,15)
InChIKeyBNPBHERMAJDNIS-UHFFFAOYSA-N
XLogP2.19
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 68191588
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CID 68253885
CID 68253885
CID 89296687
CID 89296687
CID 90087204
CID 90087204
CID 90245421
CID 90245421
CID 106549759
CID 106549759
CID 123803613
CID 123803613
CID 126545536
CID 126545536
CID 126545552
CID 126545552
CID 126724649
CID 126724649
CID 126724708
CID 126724708

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-5-propan-2-ylpyridazin-3-amine?
The IUPAC name of N-(oxan-4-yl)-5-propan-2-ylpyridazin-3-amine (CID 126724648) is N-(oxan-4-yl)-5-propan-2-ylpyridazin-3-amine.
What is the SMILES notation for N-(oxan-4-yl)-5-propan-2-ylpyridazin-3-amine?
The canonical SMILES for N-(oxan-4-yl)-5-propan-2-ylpyridazin-3-amine is CC(C)c1cnnc(NC2CCOCC2)c1.
What is the InChIKey of N-(oxan-4-yl)-5-propan-2-ylpyridazin-3-amine?
The InChIKey is BNPBHERMAJDNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9(2)10-7-12(15-13-8-10)14-11-3-5-16-6-4-11/h7-9,11H,3-6H2,1-2H3,(H,14,15).
What are the key properties of N-(oxan-4-yl)-5-propan-2-ylpyridazin-3-amine?
N-(oxan-4-yl)-5-propan-2-ylpyridazin-3-amine has a molecular weight of 221.30 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-5-propan-2-ylpyridazin-3-amine is sourced from PubChem (CID 126724648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).