N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C20H22N8 — CID 133330151

IUPACN-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCn1cc(N2CCCC(Nc3ccc4nnc(-c5ccccc5)n4n3)C2)cn1
InChIInChI=1S/C20H22N8/c1-26-14-17(12-21-26)27-11-5-8-16(13-27)22-18-9-10-19-23-24-20(28(19)25-18)15-6-3-2-4-7-15/h2-4,6-7,9-10,12,14,16H,5,8,11,13H2,1H3,(H,22,25)
InChIKeyRUZZYENCMFMHFO-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.61
Rot. Bonds4

About N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 133330151) has the molecular formula C20H22N8 and a molecular weight of 374.45 g/mol. Its IUPAC name is N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID133330151
Molecular FormulaC20H22N8
Molecular Weight374.45 g/mol
Exact Mass374.20
IUPAC NameN-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCn1cc(N2CCCC(Nc3ccc4nnc(-c5ccccc5)n4n3)C2)cn1
InChIInChI=1S/C20H22N8/c1-26-14-17(12-21-26)27-11-5-8-16(13-27)22-18-9-10-19-23-24-20(28(19)25-18)15-6-3-2-4-7-15/h2-4,6-7,9-10,12,14,16H,5,8,11,13H2,1H3,(H,22,25)
InChIKeyRUZZYENCMFMHFO-UHFFFAOYSA-N
XLogP2.61
TPSA76.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 71870989
N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-5-phenyl-1,2,4-thiadiazol-3-amine
CID 99778841
N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 136569033
3-(2-fluorophenyl)-N-(1-phenylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133292271
2-methyl-N-[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]propanamide
CID 134802200
N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133281716
N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133330027
N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 97221881
N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1,3-benzothiazol-2-amine
CID 133330150
N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-2-phenyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 166432019
6-ethyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-pyridin-4-ylpyrimidin-4-amine
CID 133330010
8-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]quinolin-4-amine
CID 133394499

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 133330151) is N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Cn1cc(N2CCCC(Nc3ccc4nnc(-c5ccccc5)n4n3)C2)cn1.
What is the InChIKey of N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is RUZZYENCMFMHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8/c1-26-14-17(12-21-26)27-11-5-8-16(13-27)22-18-9-10-19-23-24-20(28(19)25-18)15-6-3-2-4-7-15/h2-4,6-7,9-10,12,14,16H,5,8,11,13H2,1H3,(H,22,25).
What are the key properties of N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 374.45 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 133330151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).