6-pyrazol-1-yl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]pyrazin-2-amine

C20H19N9 — CID 126920140

IUPAC6-pyrazol-1-yl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]pyrazin-2-amine
SMILESc1cnn(-c2cncc(NCC3CN(c4ccc(-c5ccncc5)nn4)C3)n2)c1
InChIInChI=1S/C20H19N9/c1-6-24-29(9-1)20-12-22-11-18(25-20)23-10-15-13-28(14-15)19-3-2-17(26-27-19)16-4-7-21-8-5-16/h1-9,11-12,15H,10,13-14H2,(H,23,25)
InChIKeyUEBBGYJOIVMGRB-UHFFFAOYSA-N
MW385.44 g/mol
LogP2.06
Rot. Bonds6

About 6-pyrazol-1-yl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]pyrazin-2-amine

6-pyrazol-1-yl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]pyrazin-2-amine (PubChem CID 126920140) has the molecular formula C20H19N9 and a molecular weight of 385.44 g/mol. Its IUPAC name is 6-pyrazol-1-yl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-pyrazol-1-yl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]pyrazin-2-amine
PubChem CID126920140
Molecular FormulaC20H19N9
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC Name6-pyrazol-1-yl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]pyrazin-2-amine
SMILESc1cnn(-c2cncc(NCC3CN(c4ccc(-c5ccncc5)nn4)C3)n2)c1
InChIInChI=1S/C20H19N9/c1-6-24-29(9-1)20-12-22-11-18(25-20)23-10-15-13-28(14-15)19-3-2-17(26-27-19)16-4-7-21-8-5-16/h1-9,11-12,15H,10,13-14H2,(H,23,25)
InChIKeyUEBBGYJOIVMGRB-UHFFFAOYSA-N
XLogP2.06
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-pyrazol-1-yl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]pyrazin-2-amine?
The IUPAC name of 6-pyrazol-1-yl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]pyrazin-2-amine (CID 126920140) is 6-pyrazol-1-yl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]pyrazin-2-amine.
What is the SMILES notation for 6-pyrazol-1-yl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]pyrazin-2-amine?
The canonical SMILES for 6-pyrazol-1-yl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]pyrazin-2-amine is c1cnn(-c2cncc(NCC3CN(c4ccc(-c5ccncc5)nn4)C3)n2)c1.
What is the InChIKey of 6-pyrazol-1-yl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]pyrazin-2-amine?
The InChIKey is UEBBGYJOIVMGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N9/c1-6-24-29(9-1)20-12-22-11-18(25-20)23-10-15-13-28(14-15)19-3-2-17(26-27-19)16-4-7-21-8-5-16/h1-9,11-12,15H,10,13-14H2,(H,23,25).
What are the key properties of 6-pyrazol-1-yl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]pyrazin-2-amine?
6-pyrazol-1-yl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]pyrazin-2-amine has a molecular weight of 385.44 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrazol-1-yl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]pyrazin-2-amine is sourced from PubChem (CID 126920140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).