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

C19H26N6O — CID 126918010

IUPACN-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-amine
SMILESCC(C)(C)c1ccc(N2CC(CNc3cc4c(nn3)CCOC4)C2)nn1
InChIInChI=1S/C19H26N6O/c1-19(2,3)16-4-5-18(24-22-16)25-10-13(11-25)9-20-17-8-14-12-26-7-6-15(14)21-23-17/h4-5,8,13H,6-7,9-12H2,1-3H3,(H,20,23)
InChIKeyDHOAWYMRYVGHIS-UHFFFAOYSA-N
MW354.46 g/mol
LogP2.19
Rot. Bonds4

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

N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-amine (PubChem CID 126918010) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-amine.

Molecular Properties

Compound NameN-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-amine
PubChem CID126918010
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC NameN-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-amine
SMILESCC(C)(C)c1ccc(N2CC(CNc3cc4c(nn3)CCOC4)C2)nn1
InChIInChI=1S/C19H26N6O/c1-19(2,3)16-4-5-18(24-22-16)25-10-13(11-25)9-20-17-8-14-12-26-7-6-15(14)21-23-17/h4-5,8,13H,6-7,9-12H2,1-3H3,(H,20,23)
InChIKeyDHOAWYMRYVGHIS-UHFFFAOYSA-N
XLogP2.19
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-amine?
The IUPAC name of N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-amine (CID 126918010) is N-[[1-(6-tert-butylpyridazin-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-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-amine?
The canonical SMILES for N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-amine is CC(C)(C)c1ccc(N2CC(CNc3cc4c(nn3)CCOC4)C2)nn1.
What is the InChIKey of N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-amine?
The InChIKey is DHOAWYMRYVGHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-19(2,3)16-4-5-18(24-22-16)25-10-13(11-25)9-20-17-8-14-12-26-7-6-15(14)21-23-17/h4-5,8,13H,6-7,9-12H2,1-3H3,(H,20,23).
What are the key properties of N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-amine?
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-amine has a molecular weight of 354.46 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-amine is sourced from PubChem (CID 126918010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).