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

C14H13N5O — CID 15595684

IUPACN-methyl-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]formamide
SMILESCc1nnc2ccc(-c3cccc(N(C)C=O)c3)nn12
InChIInChI=1S/C14H13N5O/c1-10-15-16-14-7-6-13(17-19(10)14)11-4-3-5-12(8-11)18(2)9-20/h3-9H,1-2H3
InChIKeyVRYQQNDUYRYZIX-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.69
Rot. Bonds3

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

N-methyl-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]formamide (PubChem CID 15595684) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is N-methyl-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]formamide.

Molecular Properties

Compound NameN-methyl-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]formamide
PubChem CID15595684
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC NameN-methyl-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]formamide
SMILESCc1nnc2ccc(-c3cccc(N(C)C=O)c3)nn12
InChIInChI=1S/C14H13N5O/c1-10-15-16-14-7-6-13(17-19(10)14)11-4-3-5-12(8-11)18(2)9-20/h3-9H,1-2H3
InChIKeyVRYQQNDUYRYZIX-UHFFFAOYSA-N
XLogP1.69
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]formamide?
The IUPAC name of N-methyl-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]formamide (CID 15595684) is N-methyl-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]formamide.
What is the SMILES notation for N-methyl-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]formamide?
The canonical SMILES for N-methyl-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]formamide is Cc1nnc2ccc(-c3cccc(N(C)C=O)c3)nn12.
What is the InChIKey of N-methyl-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]formamide?
The InChIKey is VRYQQNDUYRYZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-10-15-16-14-7-6-13(17-19(10)14)11-4-3-5-12(8-11)18(2)9-20/h3-9H,1-2H3.
What are the key properties of N-methyl-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]formamide?
N-methyl-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]formamide has a molecular weight of 267.29 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]formamide is sourced from PubChem (CID 15595684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).