1-[6-(5-amino-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-3-[2-(2-ethyltetrazol-5-yl)ethyl]urea

C17H19N11O — CID 71035079

About 1-[6-(5-amino-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-3-[2-(2-ethyltetrazol-5-yl)ethyl]urea

1-[6-(5-amino-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-3-[2-(2-ethyltetrazol-5-yl)ethyl]urea (PubChem CID 71035079) has the molecular formula C17H19N11O and a molecular weight of 393.42 g/mol. Its IUPAC name is 1-[6-(5-amino-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-3-[2-(2-ethyltetrazol-5-yl)ethyl]urea.

Molecular Properties

• Compound Name: 1-[6-(5-amino-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-3-[2-(2-ethyltetrazol-5-yl)ethyl]urea
• PubChem CID: 71035079
• Molecular Formula: C17H19N11O
• Molecular Weight: 393.42 g/mol
• Exact Mass: 393.18
• IUPAC Name: 1-[6-(5-amino-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-3-[2-(2-ethyltetrazol-5-yl)ethyl]urea
• SMILES: CCn1nnc(CCNC(=O)Nc2cn3nc(-c4cncc(N)c4)ccc3n2)n1
• InChI: InChI=1S/C17H19N11O/c1-2-28-25-14(23-26-28)5-6-20-17(29)22-15-10-27-16(21-15)4-3-13(24-27)11-7-12(18)9-19-8-11/h3-4,7-10H,2,5-6,18H2,1H3,(H2,20,22,29)
• InChIKey: YBQNKWLHOLIYRJ-UHFFFAOYSA-N
• XLogP: 0.74
• TPSA: 153.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.42
LogP ≤ 5	0.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-[6-(5-amino-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-3-[2-(2-ethyltetrazol-5-yl)ethyl]urea?

The IUPAC name of 1-[6-(5-amino-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-3-[2-(2-ethyltetrazol-5-yl)ethyl]urea (CID 71035079) is 1-[6-(5-amino-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-3-[2-(2-ethyltetrazol-5-yl)ethyl]urea.

What is the SMILES notation for 1-[6-(5-amino-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-3-[2-(2-ethyltetrazol-5-yl)ethyl]urea?

The canonical SMILES for 1-[6-(5-amino-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-3-[2-(2-ethyltetrazol-5-yl)ethyl]urea is CCn1nnc(CCNC(=O)Nc2cn3nc(-c4cncc(N)c4)ccc3n2)n1.

What is the InChIKey of 1-[6-(5-amino-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-3-[2-(2-ethyltetrazol-5-yl)ethyl]urea?

The InChIKey is YBQNKWLHOLIYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N11O/c1-2-28-25-14(23-26-28)5-6-20-17(29)22-15-10-27-16(21-15)4-3-13(24-27)11-7-12(18)9-19-8-11/h3-4,7-10H,2,5-6,18H2,1H3,(H2,20,22,29).

What are the key properties of 1-[6-(5-amino-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-3-[2-(2-ethyltetrazol-5-yl)ethyl]urea?

1-[6-(5-amino-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-3-[2-(2-ethyltetrazol-5-yl)ethyl]urea has a molecular weight of 393.42 g/mol, XLogP of 0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-(5-amino-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-3-[2-(2-ethyltetrazol-5-yl)ethyl]urea is sourced from PubChem (CID 71035079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).