8-N-(2-methoxyethyl)-6-N-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]imidazo[1,2-b]pyridazine-3,6,8-triamine

C18H22N10O2 — CID 70901021

IUPAC8-N-(2-methoxyethyl)-6-N-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]imidazo[1,2-b]pyridazine-3,6,8-triamine
SMILESCOCCNc1cc(Nc2cc(OC)cc(-n3nnnc3C)c2)nn2c(N)cnc12
InChIInChI=1S/C18H22N10O2/c1-11-23-25-26-27(11)13-6-12(7-14(8-13)30-3)22-17-9-15(20-4-5-29-2)18-21-10-16(19)28(18)24-17/h6-10,20H,4-5,19H2,1-3H3,(H,22,24)
InChIKeyWPYSHZMOAVVBMI-UHFFFAOYSA-N
MW410.44 g/mol
LogP1.41
Rot. Bonds8

About 8-N-(2-methoxyethyl)-6-N-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]imidazo[1,2-b]pyridazine-3,6,8-triamine

8-N-(2-methoxyethyl)-6-N-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]imidazo[1,2-b]pyridazine-3,6,8-triamine (PubChem CID 70901021) has the molecular formula C18H22N10O2 and a molecular weight of 410.44 g/mol. Its IUPAC name is 8-N-(2-methoxyethyl)-6-N-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]imidazo[1,2-b]pyridazine-3,6,8-triamine.

Molecular Properties

Compound Name8-N-(2-methoxyethyl)-6-N-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]imidazo[1,2-b]pyridazine-3,6,8-triamine
PubChem CID70901021
Molecular FormulaC18H22N10O2
Molecular Weight410.44 g/mol
Exact Mass410.19
IUPAC Name8-N-(2-methoxyethyl)-6-N-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]imidazo[1,2-b]pyridazine-3,6,8-triamine
SMILESCOCCNc1cc(Nc2cc(OC)cc(-n3nnnc3C)c2)nn2c(N)cnc12
InChIInChI=1S/C18H22N10O2/c1-11-23-25-26-27(11)13-6-12(7-14(8-13)30-3)22-17-9-15(20-4-5-29-2)18-21-10-16(19)28(18)24-17/h6-10,20H,4-5,19H2,1-3H3,(H,22,24)
InChIKeyWPYSHZMOAVVBMI-UHFFFAOYSA-N
XLogP1.41
TPSA142.33 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.44
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-N-(2-methoxyethyl)-6-N-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]imidazo[1,2-b]pyridazine-3,6,8-triamine?
The IUPAC name of 8-N-(2-methoxyethyl)-6-N-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]imidazo[1,2-b]pyridazine-3,6,8-triamine (CID 70901021) is 8-N-(2-methoxyethyl)-6-N-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]imidazo[1,2-b]pyridazine-3,6,8-triamine.
What is the SMILES notation for 8-N-(2-methoxyethyl)-6-N-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]imidazo[1,2-b]pyridazine-3,6,8-triamine?
The canonical SMILES for 8-N-(2-methoxyethyl)-6-N-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]imidazo[1,2-b]pyridazine-3,6,8-triamine is COCCNc1cc(Nc2cc(OC)cc(-n3nnnc3C)c2)nn2c(N)cnc12.
What is the InChIKey of 8-N-(2-methoxyethyl)-6-N-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]imidazo[1,2-b]pyridazine-3,6,8-triamine?
The InChIKey is WPYSHZMOAVVBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N10O2/c1-11-23-25-26-27(11)13-6-12(7-14(8-13)30-3)22-17-9-15(20-4-5-29-2)18-21-10-16(19)28(18)24-17/h6-10,20H,4-5,19H2,1-3H3,(H,22,24).
What are the key properties of 8-N-(2-methoxyethyl)-6-N-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]imidazo[1,2-b]pyridazine-3,6,8-triamine?
8-N-(2-methoxyethyl)-6-N-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]imidazo[1,2-b]pyridazine-3,6,8-triamine has a molecular weight of 410.44 g/mol, XLogP of 1.41, 8 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(2-methoxyethyl)-6-N-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]imidazo[1,2-b]pyridazine-3,6,8-triamine is sourced from PubChem (CID 70901021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).