2-[4-[6-(dimethylamino)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide

C14H17N9O — CID 46982778

IUPAC2-[4-[6-(dimethylamino)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide
SMILESCN(C)c1cc(-c2cnn(CC(=O)Nc3cnn(C)n3)c2)ncn1
InChIInChI=1S/C14H17N9O/c1-21(2)13-4-11(15-9-16-13)10-5-18-23(7-10)8-14(24)19-12-6-17-22(3)20-12/h4-7,9H,8H2,1-3H3,(H,19,20,24)
InChIKeyREICNZRDMULYPA-UHFFFAOYSA-N
MW327.35 g/mol
LogP0.17
Rot. Bonds5

About 2-[4-[6-(dimethylamino)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide

2-[4-[6-(dimethylamino)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide (PubChem CID 46982778) has the molecular formula C14H17N9O and a molecular weight of 327.35 g/mol. Its IUPAC name is 2-[4-[6-(dimethylamino)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[4-[6-(dimethylamino)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide
PubChem CID46982778
Molecular FormulaC14H17N9O
Molecular Weight327.35 g/mol
Exact Mass327.16
IUPAC Name2-[4-[6-(dimethylamino)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide
SMILESCN(C)c1cc(-c2cnn(CC(=O)Nc3cnn(C)n3)c2)ncn1
InChIInChI=1S/C14H17N9O/c1-21(2)13-4-11(15-9-16-13)10-5-18-23(7-10)8-14(24)19-12-6-17-22(3)20-12/h4-7,9H,8H2,1-3H3,(H,19,20,24)
InChIKeyREICNZRDMULYPA-UHFFFAOYSA-N
XLogP0.17
TPSA106.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[4-[6-(dimethylamino)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(dimethylamino)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide?
The IUPAC name of 2-[4-[6-(dimethylamino)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide (CID 46982778) is 2-[4-[6-(dimethylamino)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide.
What is the SMILES notation for 2-[4-[6-(dimethylamino)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide?
The canonical SMILES for 2-[4-[6-(dimethylamino)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide is CN(C)c1cc(-c2cnn(CC(=O)Nc3cnn(C)n3)c2)ncn1.
What is the InChIKey of 2-[4-[6-(dimethylamino)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide?
The InChIKey is REICNZRDMULYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N9O/c1-21(2)13-4-11(15-9-16-13)10-5-18-23(7-10)8-14(24)19-12-6-17-22(3)20-12/h4-7,9H,8H2,1-3H3,(H,19,20,24).
What are the key properties of 2-[4-[6-(dimethylamino)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide?
2-[4-[6-(dimethylamino)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide has a molecular weight of 327.35 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(dimethylamino)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide is sourced from PubChem (CID 46982778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).