3-(oxolan-2-yl)-N-[(1-phenylcyclopropyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C19H21N5O — CID 56827185

IUPAC3-(oxolan-2-yl)-N-[(1-phenylcyclopropyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESc1ccc(C2(CNc3ccc4nnc(C5CCCO5)n4n3)CC2)cc1
InChIInChI=1S/C19H21N5O/c1-2-5-14(6-3-1)19(10-11-19)13-20-16-8-9-17-21-22-18(24(17)23-16)15-7-4-12-25-15/h1-3,5-6,8-9,15H,4,7,10-13H2,(H,20,23)
InChIKeyOKCSBCQMDHXSOC-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.12
Rot. Bonds5

About 3-(oxolan-2-yl)-N-[(1-phenylcyclopropyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

3-(oxolan-2-yl)-N-[(1-phenylcyclopropyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 56827185) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-(oxolan-2-yl)-N-[(1-phenylcyclopropyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(oxolan-2-yl)-N-[(1-phenylcyclopropyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID56827185
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name3-(oxolan-2-yl)-N-[(1-phenylcyclopropyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESc1ccc(C2(CNc3ccc4nnc(C5CCCO5)n4n3)CC2)cc1
InChIInChI=1S/C19H21N5O/c1-2-5-14(6-3-1)19(10-11-19)13-20-16-8-9-17-21-22-18(24(17)23-16)15-7-4-12-25-15/h1-3,5-6,8-9,15H,4,7,10-13H2,(H,20,23)
InChIKeyOKCSBCQMDHXSOC-UHFFFAOYSA-N
XLogP3.12
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-yl)-N-[(1-phenylcyclopropyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-(oxolan-2-yl)-N-[(1-phenylcyclopropyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 56827185) is 3-(oxolan-2-yl)-N-[(1-phenylcyclopropyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-(oxolan-2-yl)-N-[(1-phenylcyclopropyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-(oxolan-2-yl)-N-[(1-phenylcyclopropyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is c1ccc(C2(CNc3ccc4nnc(C5CCCO5)n4n3)CC2)cc1.
What is the InChIKey of 3-(oxolan-2-yl)-N-[(1-phenylcyclopropyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is OKCSBCQMDHXSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-2-5-14(6-3-1)19(10-11-19)13-20-16-8-9-17-21-22-18(24(17)23-16)15-7-4-12-25-15/h1-3,5-6,8-9,15H,4,7,10-13H2,(H,20,23).
What are the key properties of 3-(oxolan-2-yl)-N-[(1-phenylcyclopropyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-(oxolan-2-yl)-N-[(1-phenylcyclopropyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 335.41 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yl)-N-[(1-phenylcyclopropyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 56827185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).