3-phenyl-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C19H21N7 — CID 95767773

IUPAC3-phenyl-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1nn(C)c(C)c1[C@H](C)Nc1ccc2nnc(-c3ccccc3)n2n1
InChIInChI=1S/C19H21N7/c1-12(18-13(2)23-25(4)14(18)3)20-16-10-11-17-21-22-19(26(17)24-16)15-8-6-5-7-9-15/h5-12H,1-4H3,(H,20,24)/t12-/m0/s1
InChIKeyOODTZKDTZREFPL-LBPRGKRZSA-N
MW347.43 g/mol
LogP3.31
Rot. Bonds4

About 3-phenyl-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

3-phenyl-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 95767773) has the molecular formula C19H21N7 and a molecular weight of 347.43 g/mol. Its IUPAC name is 3-phenyl-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-phenyl-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID95767773
Molecular FormulaC19H21N7
Molecular Weight347.43 g/mol
Exact Mass347.19
IUPAC Name3-phenyl-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1nn(C)c(C)c1[C@H](C)Nc1ccc2nnc(-c3ccccc3)n2n1
InChIInChI=1S/C19H21N7/c1-12(18-13(2)23-25(4)14(18)3)20-16-10-11-17-21-22-19(26(17)24-16)15-8-6-5-7-9-15/h5-12H,1-4H3,(H,20,24)/t12-/m0/s1
InChIKeyOODTZKDTZREFPL-LBPRGKRZSA-N
XLogP3.31
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133312004
N,N-dimethyl-3-phenyl-3-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide
CID 71685166
3-ethyl-N-[(1S)-1-phenylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 39335688
N-[1-(oxolan-3-yloxy)propan-2-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133348423
N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 71996278
3-phenyl-N-[phenyl(1,3-thiazol-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133299697
3-(furan-2-yl)-3-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propan-1-ol
CID 133490838
N-(3-methylsulfanylpropyl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133304991
3-phenoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 62379121
1-(1-phenylethyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 60595650
[phenyl-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105282920
N-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 95160952

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-phenyl-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 95767773) is 3-phenyl-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-phenyl-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-phenyl-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Cc1nn(C)c(C)c1[C@H](C)Nc1ccc2nnc(-c3ccccc3)n2n1.
What is the InChIKey of 3-phenyl-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is OODTZKDTZREFPL-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H21N7/c1-12(18-13(2)23-25(4)14(18)3)20-16-10-11-17-21-22-19(26(17)24-16)15-8-6-5-7-9-15/h5-12H,1-4H3,(H,20,24)/t12-/m0/s1.
What are the key properties of 3-phenyl-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-phenyl-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 347.43 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 95767773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).