3-(3H-benzimidazol-5-yl)-6-chloro-N-(cyclopropylmethyl)imidazo[1,2-b]pyridazin-8-amine

C17H15ClN6 — CID 155554101

IUPAC3-(3H-benzimidazol-5-yl)-6-chloro-N-(cyclopropylmethyl)imidazo[1,2-b]pyridazin-8-amine
SMILESClc1cc(NCC2CC2)c2ncc(-c3ccc4nc[nH]c4c3)n2n1
InChIInChI=1S/C17H15ClN6/c18-16-6-14(19-7-10-1-2-10)17-20-8-15(24(17)23-16)11-3-4-12-13(5-11)22-9-21-12/h3-6,8-10,19H,1-2,7H2,(H,21,22)
InChIKeyBCZVWAYFOJYNBL-UHFFFAOYSA-N
MW338.80 g/mol
LogP3.75
Rot. Bonds4

About 3-(3H-benzimidazol-5-yl)-6-chloro-N-(cyclopropylmethyl)imidazo[1,2-b]pyridazin-8-amine

3-(3H-benzimidazol-5-yl)-6-chloro-N-(cyclopropylmethyl)imidazo[1,2-b]pyridazin-8-amine (PubChem CID 155554101) has the molecular formula C17H15ClN6 and a molecular weight of 338.80 g/mol. Its IUPAC name is 3-(3H-benzimidazol-5-yl)-6-chloro-N-(cyclopropylmethyl)imidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

Compound Name3-(3H-benzimidazol-5-yl)-6-chloro-N-(cyclopropylmethyl)imidazo[1,2-b]pyridazin-8-amine
PubChem CID155554101
Molecular FormulaC17H15ClN6
Molecular Weight338.80 g/mol
Exact Mass338.10
IUPAC Name3-(3H-benzimidazol-5-yl)-6-chloro-N-(cyclopropylmethyl)imidazo[1,2-b]pyridazin-8-amine
SMILESClc1cc(NCC2CC2)c2ncc(-c3ccc4nc[nH]c4c3)n2n1
InChIInChI=1S/C17H15ClN6/c18-16-6-14(19-7-10-1-2-10)17-20-8-15(24(17)23-16)11-3-4-12-13(5-11)22-9-21-12/h3-6,8-10,19H,1-2,7H2,(H,21,22)
InChIKeyBCZVWAYFOJYNBL-UHFFFAOYSA-N
XLogP3.75
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3H-benzimidazol-5-yl)-6-chloro-N-(cyclopropylmethyl)imidazo[1,2-b]pyridazin-8-amine?
The IUPAC name of 3-(3H-benzimidazol-5-yl)-6-chloro-N-(cyclopropylmethyl)imidazo[1,2-b]pyridazin-8-amine (CID 155554101) is 3-(3H-benzimidazol-5-yl)-6-chloro-N-(cyclopropylmethyl)imidazo[1,2-b]pyridazin-8-amine.
What is the SMILES notation for 3-(3H-benzimidazol-5-yl)-6-chloro-N-(cyclopropylmethyl)imidazo[1,2-b]pyridazin-8-amine?
The canonical SMILES for 3-(3H-benzimidazol-5-yl)-6-chloro-N-(cyclopropylmethyl)imidazo[1,2-b]pyridazin-8-amine is Clc1cc(NCC2CC2)c2ncc(-c3ccc4nc[nH]c4c3)n2n1.
What is the InChIKey of 3-(3H-benzimidazol-5-yl)-6-chloro-N-(cyclopropylmethyl)imidazo[1,2-b]pyridazin-8-amine?
The InChIKey is BCZVWAYFOJYNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN6/c18-16-6-14(19-7-10-1-2-10)17-20-8-15(24(17)23-16)11-3-4-12-13(5-11)22-9-21-12/h3-6,8-10,19H,1-2,7H2,(H,21,22).
What are the key properties of 3-(3H-benzimidazol-5-yl)-6-chloro-N-(cyclopropylmethyl)imidazo[1,2-b]pyridazin-8-amine?
3-(3H-benzimidazol-5-yl)-6-chloro-N-(cyclopropylmethyl)imidazo[1,2-b]pyridazin-8-amine has a molecular weight of 338.80 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3H-benzimidazol-5-yl)-6-chloro-N-(cyclopropylmethyl)imidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 155554101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).