3-[[(1S,3R)-3-aminocyclohexyl]methyl]-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine

C19H32N6O — CID 164855642

IUPAC3-[[(1S,3R)-3-aminocyclohexyl]methyl]-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine
SMILESCCCCc1nc2c(N)nnc(OC(C)C)c2n1C[C@H]1CCC[C@@H](N)C1
InChIInChI=1S/C19H32N6O/c1-4-5-9-15-22-16-17(19(26-12(2)3)24-23-18(16)21)25(15)11-13-7-6-8-14(20)10-13/h12-14H,4-11,20H2,1-3H3,(H2,21,23)/t13-,14+/m0/s1
InChIKeyVGHNCGPXHDSGIM-UONOGXRCSA-N
MW360.51 g/mol
LogP3.06
Rot. Bonds7

About 3-[[(1S,3R)-3-aminocyclohexyl]methyl]-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine

3-[[(1S,3R)-3-aminocyclohexyl]methyl]-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine (PubChem CID 164855642) has the molecular formula C19H32N6O and a molecular weight of 360.51 g/mol. Its IUPAC name is 3-[[(1S,3R)-3-aminocyclohexyl]methyl]-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine.

Molecular Properties

Compound Name3-[[(1S,3R)-3-aminocyclohexyl]methyl]-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine
PubChem CID164855642
Molecular FormulaC19H32N6O
Molecular Weight360.51 g/mol
Exact Mass360.26
IUPAC Name3-[[(1S,3R)-3-aminocyclohexyl]methyl]-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine
SMILESCCCCc1nc2c(N)nnc(OC(C)C)c2n1C[C@H]1CCC[C@@H](N)C1
InChIInChI=1S/C19H32N6O/c1-4-5-9-15-22-16-17(19(26-12(2)3)24-23-18(16)21)25(15)11-13-7-6-8-14(20)10-13/h12-14H,4-11,20H2,1-3H3,(H2,21,23)/t13-,14+/m0/s1
InChIKeyVGHNCGPXHDSGIM-UONOGXRCSA-N
XLogP3.06
TPSA104.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[(1S,3R)-3-aminocyclohexyl]methyl]-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine?
The IUPAC name of 3-[[(1S,3R)-3-aminocyclohexyl]methyl]-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine (CID 164855642) is 3-[[(1S,3R)-3-aminocyclohexyl]methyl]-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine.
What is the SMILES notation for 3-[[(1S,3R)-3-aminocyclohexyl]methyl]-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine?
The canonical SMILES for 3-[[(1S,3R)-3-aminocyclohexyl]methyl]-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine is CCCCc1nc2c(N)nnc(OC(C)C)c2n1C[C@H]1CCC[C@@H](N)C1.
What is the InChIKey of 3-[[(1S,3R)-3-aminocyclohexyl]methyl]-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine?
The InChIKey is VGHNCGPXHDSGIM-UONOGXRCSA-N. The full InChI is InChI=1S/C19H32N6O/c1-4-5-9-15-22-16-17(19(26-12(2)3)24-23-18(16)21)25(15)11-13-7-6-8-14(20)10-13/h12-14H,4-11,20H2,1-3H3,(H2,21,23)/t13-,14+/m0/s1.
What are the key properties of 3-[[(1S,3R)-3-aminocyclohexyl]methyl]-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine?
3-[[(1S,3R)-3-aminocyclohexyl]methyl]-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine has a molecular weight of 360.51 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1S,3R)-3-aminocyclohexyl]methyl]-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine is sourced from PubChem (CID 164855642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).