6-(3-methylpyrazol-1-yl)-N-(6-oxaspiro[4.5]decan-9-yl)pyridazin-3-amine

C17H23N5O — CID 71847338

IUPAC6-(3-methylpyrazol-1-yl)-N-(6-oxaspiro[4.5]decan-9-yl)pyridazin-3-amine
SMILESCc1ccn(-c2ccc(NC3CCOC4(CCCC4)C3)nn2)n1
InChIInChI=1S/C17H23N5O/c1-13-6-10-22(21-13)16-5-4-15(19-20-16)18-14-7-11-23-17(12-14)8-2-3-9-17/h4-6,10,14H,2-3,7-9,11-12H2,1H3,(H,18,19)
InChIKeySEIKDLAGFYSORL-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.87
Rot. Bonds3

About 6-(3-methylpyrazol-1-yl)-N-(6-oxaspiro[4.5]decan-9-yl)pyridazin-3-amine

6-(3-methylpyrazol-1-yl)-N-(6-oxaspiro[4.5]decan-9-yl)pyridazin-3-amine (PubChem CID 71847338) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 6-(3-methylpyrazol-1-yl)-N-(6-oxaspiro[4.5]decan-9-yl)pyridazin-3-amine.

Molecular Properties

Compound Name6-(3-methylpyrazol-1-yl)-N-(6-oxaspiro[4.5]decan-9-yl)pyridazin-3-amine
PubChem CID71847338
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name6-(3-methylpyrazol-1-yl)-N-(6-oxaspiro[4.5]decan-9-yl)pyridazin-3-amine
SMILESCc1ccn(-c2ccc(NC3CCOC4(CCCC4)C3)nn2)n1
InChIInChI=1S/C17H23N5O/c1-13-6-10-22(21-13)16-5-4-15(19-20-16)18-14-7-11-23-17(12-14)8-2-3-9-17/h4-6,10,14H,2-3,7-9,11-12H2,1H3,(H,18,19)
InChIKeySEIKDLAGFYSORL-UHFFFAOYSA-N
XLogP2.87
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3,5-dimethylpyrazol-1-yl)-N-[(9R)-6-oxaspiro[4.5]decan-9-yl]pyridazin-3-amine
CID 98559250
6-methylsulfanyl-N-(6-oxaspiro[4.5]decan-9-yl)pyridazin-3-amine
CID 133377821
9-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-1-oxa-9-azaspiro[5.5]undecan-4-amine
CID 167982921
6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carbonitrile
CID 133421174
[1-methyl-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]cyclopentyl]methanol
CID 71871516
cyclohexyl-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]piperidin-1-yl]methanone
CID 133291151
3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrazole
CID 79920836
4-methyl-N-[(9R)-6-oxaspiro[4.5]decan-9-yl]pyrimidin-2-amine
CID 97234618
2-(methoxymethyl)-6-methyl-N-[(9S)-6-oxaspiro[4.5]decan-9-yl]pyrimidin-4-amine
CID 97234627
N-(4-methylphenyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79898330
2-(methoxymethyl)-6-methyl-N-[(4S)-1-oxaspiro[5.5]undecan-4-yl]pyrimidin-4-amine
CID 98559254
N-[(1-methoxycyclobutyl)methyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine
CID 133459940

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylpyrazol-1-yl)-N-(6-oxaspiro[4.5]decan-9-yl)pyridazin-3-amine?
The IUPAC name of 6-(3-methylpyrazol-1-yl)-N-(6-oxaspiro[4.5]decan-9-yl)pyridazin-3-amine (CID 71847338) is 6-(3-methylpyrazol-1-yl)-N-(6-oxaspiro[4.5]decan-9-yl)pyridazin-3-amine.
What is the SMILES notation for 6-(3-methylpyrazol-1-yl)-N-(6-oxaspiro[4.5]decan-9-yl)pyridazin-3-amine?
The canonical SMILES for 6-(3-methylpyrazol-1-yl)-N-(6-oxaspiro[4.5]decan-9-yl)pyridazin-3-amine is Cc1ccn(-c2ccc(NC3CCOC4(CCCC4)C3)nn2)n1.
What is the InChIKey of 6-(3-methylpyrazol-1-yl)-N-(6-oxaspiro[4.5]decan-9-yl)pyridazin-3-amine?
The InChIKey is SEIKDLAGFYSORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-13-6-10-22(21-13)16-5-4-15(19-20-16)18-14-7-11-23-17(12-14)8-2-3-9-17/h4-6,10,14H,2-3,7-9,11-12H2,1H3,(H,18,19).
What are the key properties of 6-(3-methylpyrazol-1-yl)-N-(6-oxaspiro[4.5]decan-9-yl)pyridazin-3-amine?
6-(3-methylpyrazol-1-yl)-N-(6-oxaspiro[4.5]decan-9-yl)pyridazin-3-amine has a molecular weight of 313.41 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylpyrazol-1-yl)-N-(6-oxaspiro[4.5]decan-9-yl)pyridazin-3-amine is sourced from PubChem (CID 71847338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).