N-[(6-phenylpyrimidin-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide

C18H14N8O — CID 122262082

IUPACN-[(6-phenylpyrimidin-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
SMILESO=C(NCc1cc(-c2ccccc2)ncn1)c1ccc(-n2cncn2)nn1
InChIInChI=1S/C18H14N8O/c27-18(15-6-7-17(25-24-15)26-12-19-10-23-26)20-9-14-8-16(22-11-21-14)13-4-2-1-3-5-13/h1-8,10-12H,9H2,(H,20,27)
InChIKeyMJRLTCUHZVWGCP-UHFFFAOYSA-N
MW358.37 g/mol
LogP1.44
Rot. Bonds5

About N-[(6-phenylpyrimidin-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide

N-[(6-phenylpyrimidin-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide (PubChem CID 122262082) has the molecular formula C18H14N8O and a molecular weight of 358.37 g/mol. Its IUPAC name is N-[(6-phenylpyrimidin-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-phenylpyrimidin-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
PubChem CID122262082
Molecular FormulaC18H14N8O
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC NameN-[(6-phenylpyrimidin-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
SMILESO=C(NCc1cc(-c2ccccc2)ncn1)c1ccc(-n2cncn2)nn1
InChIInChI=1S/C18H14N8O/c27-18(15-6-7-17(25-24-15)26-12-19-10-23-26)20-9-14-8-16(22-11-21-14)13-4-2-1-3-5-13/h1-8,10-12H,9H2,(H,20,27)
InChIKeyMJRLTCUHZVWGCP-UHFFFAOYSA-N
XLogP1.44
TPSA111.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(6-phenylpyrimidin-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(6-phenylpyrimidin-4-yl)methyl]pyridine-2-carboxamide
CID 122261812
6-(1,2,4-triazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridazine-3-carboxamide
CID 71805186
3,5-dichloro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide
CID 122261935
2,6-difluoro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide
CID 122261961
2-benzoyl-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide
CID 122261778
2,4-dioxo-N-[(6-phenylpyrimidin-4-yl)methyl]-1H-pyrimidine-6-carboxamide
CID 122262021
1-acetyl-N-[(6-phenylpyrimidin-4-yl)methyl]piperidine-4-carboxamide
CID 122261947
2-oxo-N-[(6-phenylpyrimidin-4-yl)methyl]-1H-pyridine-3-carboxamide
CID 122261802
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 122264045
N-(2-oxochromen-3-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
CID 71805133
2-benzylsulfanyl-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122261968
N-(5-methyl-1,3-thiazol-2-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
CID 71805184

Frequently Asked Questions

What is the IUPAC name of N-[(6-phenylpyrimidin-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide?
The IUPAC name of N-[(6-phenylpyrimidin-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide (CID 122262082) is N-[(6-phenylpyrimidin-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-[(6-phenylpyrimidin-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-[(6-phenylpyrimidin-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide is O=C(NCc1cc(-c2ccccc2)ncn1)c1ccc(-n2cncn2)nn1.
What is the InChIKey of N-[(6-phenylpyrimidin-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide?
The InChIKey is MJRLTCUHZVWGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N8O/c27-18(15-6-7-17(25-24-15)26-12-19-10-23-26)20-9-14-8-16(22-11-21-14)13-4-2-1-3-5-13/h1-8,10-12H,9H2,(H,20,27).
What are the key properties of N-[(6-phenylpyrimidin-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide?
N-[(6-phenylpyrimidin-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide has a molecular weight of 358.37 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-phenylpyrimidin-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 122262082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).