N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C15H13N7O — CID 166190758

IUPACN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1nnc(CNc2ccc3nnc(-c4ccccc4)n3n2)o1
InChIInChI=1S/C15H13N7O/c1-10-17-19-14(23-10)9-16-12-7-8-13-18-20-15(22(13)21-12)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,16,21)
InChIKeyDLRVTVKDTHZJMF-UHFFFAOYSA-N
MW307.32 g/mol
LogP2.09
Rot. Bonds4

About N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 166190758) has the molecular formula C15H13N7O and a molecular weight of 307.32 g/mol. Its IUPAC name is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID166190758
Molecular FormulaC15H13N7O
Molecular Weight307.32 g/mol
Exact Mass307.12
IUPAC NameN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1nnc(CNc2ccc3nnc(-c4ccccc4)n3n2)o1
InChIInChI=1S/C15H13N7O/c1-10-17-19-14(23-10)9-16-12-7-8-13-18-20-15(22(13)21-12)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,16,21)
InChIKeyDLRVTVKDTHZJMF-UHFFFAOYSA-N
XLogP2.09
TPSA94.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 166190758) is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Cc1nnc(CNc2ccc3nnc(-c4ccccc4)n3n2)o1.
What is the InChIKey of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is DLRVTVKDTHZJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N7O/c1-10-17-19-14(23-10)9-16-12-7-8-13-18-20-15(22(13)21-12)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,16,21).
What are the key properties of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 307.32 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 166190758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).