3-[[5-(aminomethyl)-2-pyridinyl]methyl]-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine

C19H27N7O — CID 164855777

IUPAC3-[[5-(aminomethyl)-2-pyridinyl]methyl]-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine
SMILESCCCCc1nc2c(N)nnc(OC(C)C)c2n1Cc1ccc(CN)cn1
InChIInChI=1S/C19H27N7O/c1-4-5-6-15-23-16-17(19(27-12(2)3)25-24-18(16)21)26(15)11-14-8-7-13(9-20)10-22-14/h7-8,10,12H,4-6,9,11,20H2,1-3H3,(H2,21,24)
InChIKeyCAAOXJNMQAKCIR-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.44
Rot. Bonds8

About 3-[[5-(aminomethyl)-2-pyridinyl]methyl]-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine

3-[[5-(aminomethyl)-2-pyridinyl]methyl]-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine (PubChem CID 164855777) has the molecular formula C19H27N7O and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-[[5-(aminomethyl)-2-pyridinyl]methyl]-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine.

Molecular Properties

Compound Name3-[[5-(aminomethyl)-2-pyridinyl]methyl]-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine
PubChem CID164855777
Molecular FormulaC19H27N7O
Molecular Weight369.47 g/mol
Exact Mass369.23
IUPAC Name3-[[5-(aminomethyl)-2-pyridinyl]methyl]-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine
SMILESCCCCc1nc2c(N)nnc(OC(C)C)c2n1Cc1ccc(CN)cn1
InChIInChI=1S/C19H27N7O/c1-4-5-6-15-23-16-17(19(27-12(2)3)25-24-18(16)21)26(15)11-14-8-7-13(9-20)10-22-14/h7-8,10,12H,4-6,9,11,20H2,1-3H3,(H2,21,24)
InChIKeyCAAOXJNMQAKCIR-UHFFFAOYSA-N
XLogP2.44
TPSA117.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[[5-(aminomethyl)-2-pyridinyl]methyl]-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine with MolForge

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Related Compounds

N-[[4-[(7-amino-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-3-yl)methyl]phenyl]methyl]methanesulfonamide
CID 164855828
2-butyl-3-[[4-[[2-(2-methoxyethoxy)ethylamino]methyl]phenyl]methyl]-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine
CID 164855933
2-butyl-3-[[3-[[(1,1-dioxothietan-3-yl)amino]methyl]phenyl]methyl]-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine
CID 164855834
3-[[(1S,3R)-3-aminocyclohexyl]methyl]-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine
CID 164855642
3-[[(1S,3S)-3-aminocyclohexyl]methyl]-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine
CID 170781412
2-butyl-1-[(4-methoxyphenyl)methyl]-7-(3-methylbutyl)imidazo[4,5-d]pyridazin-4-amine
CID 164855591
1-[[4-(2-aminoethyl)phenyl]methyl]-2-butyl-7-[(E)-3-methylbut-1-enyl]imidazo[4,5-d]pyridazin-4-amine
CID 171575321
2-butyl-3-[6-(oxan-4-ylamino)hexyl]-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine;dihydrochloride
CID 164855564
2-butyl-1-[(4-methoxyphenyl)methyl]-7-prop-1-en-2-ylimidazo[4,5-d]pyridazin-4-amine
CID 164855663
2-butyl-3-[(4-methoxyphenyl)methyl]-4-pyrrolidin-1-ylimidazo[4,5-d]pyridazin-7-amine
CID 164855822
2-butyl-4-N-(2-methoxyethyl)-3-[(4-methoxyphenyl)methyl]imidazo[4,5-d]pyridazine-4,7-diamine
CID 164855590
2-[4-[(4,7-diamino-2-butylimidazo[4,5-d]pyridazin-3-yl)methyl]phenyl]benzoic acid
CID 54517027

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(aminomethyl)-2-pyridinyl]methyl]-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine?
The IUPAC name of 3-[[5-(aminomethyl)-2-pyridinyl]methyl]-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine (CID 164855777) is 3-[[5-(aminomethyl)-2-pyridinyl]methyl]-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine.
What is the SMILES notation for 3-[[5-(aminomethyl)-2-pyridinyl]methyl]-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine?
The canonical SMILES for 3-[[5-(aminomethyl)-2-pyridinyl]methyl]-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine is CCCCc1nc2c(N)nnc(OC(C)C)c2n1Cc1ccc(CN)cn1.
What is the InChIKey of 3-[[5-(aminomethyl)-2-pyridinyl]methyl]-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine?
The InChIKey is CAAOXJNMQAKCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O/c1-4-5-6-15-23-16-17(19(27-12(2)3)25-24-18(16)21)26(15)11-14-8-7-13(9-20)10-22-14/h7-8,10,12H,4-6,9,11,20H2,1-3H3,(H2,21,24).
What are the key properties of 3-[[5-(aminomethyl)-2-pyridinyl]methyl]-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine?
3-[[5-(aminomethyl)-2-pyridinyl]methyl]-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine has a molecular weight of 369.47 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(aminomethyl)-2-pyridinyl]methyl]-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine is sourced from PubChem (CID 164855777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).