N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-amine

C20H21N7O — CID 126920188

IUPACN-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-amine
SMILESc1cc(-c2ccc(N3CC(CNc4cc5c(nn4)CCOC5)C3)nn2)ccn1
InChIInChI=1S/C20H21N7O/c1-2-20(26-24-17(1)15-3-6-21-7-4-15)27-11-14(12-27)10-22-19-9-16-13-28-8-5-18(16)23-25-19/h1-4,6-7,9,14H,5,8,10-13H2,(H,22,25)
InChIKeyVIZMVZDSCICUGX-UHFFFAOYSA-N
MW375.44 g/mol
LogP1.95
Rot. Bonds5

About N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-amine

N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-amine (PubChem CID 126920188) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-amine.

Molecular Properties

Compound NameN-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-amine
PubChem CID126920188
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC NameN-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-amine
SMILESc1cc(-c2ccc(N3CC(CNc4cc5c(nn4)CCOC5)C3)nn2)ccn1
InChIInChI=1S/C20H21N7O/c1-2-20(26-24-17(1)15-3-6-21-7-4-15)27-11-14(12-27)10-22-19-9-16-13-28-8-5-18(16)23-25-19/h1-4,6-7,9,14H,5,8,10-13H2,(H,22,25)
InChIKeyVIZMVZDSCICUGX-UHFFFAOYSA-N
XLogP1.95
TPSA88.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-amine?
The IUPAC name of N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-amine (CID 126920188) is N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-amine.
What is the SMILES notation for N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-amine?
The canonical SMILES for N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-amine is c1cc(-c2ccc(N3CC(CNc4cc5c(nn4)CCOC5)C3)nn2)ccn1.
What is the InChIKey of N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-amine?
The InChIKey is VIZMVZDSCICUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O/c1-2-20(26-24-17(1)15-3-6-21-7-4-15)27-11-14(12-27)10-22-19-9-16-13-28-8-5-18(16)23-25-19/h1-4,6-7,9,14H,5,8,10-13H2,(H,22,25).
What are the key properties of N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-amine?
N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-amine has a molecular weight of 375.44 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-amine is sourced from PubChem (CID 126920188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).