7-(1-methylpyrazol-4-yl)-2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

C14H16N6S — CID 136839464

IUPAC7-(1-methylpyrazol-4-yl)-2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1ccsc1-c1nc2n(n1)C(c1cnn(C)c1)CCN2
InChIInChI=1S/C14H16N6S/c1-9-4-6-21-12(9)13-17-14-15-5-3-11(20(14)18-13)10-7-16-19(2)8-10/h4,6-8,11H,3,5H2,1-2H3,(H,15,17,18)
InChIKeyLVDLQCKFXHUWJU-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.45
Rot. Bonds2

About 7-(1-methylpyrazol-4-yl)-2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

7-(1-methylpyrazol-4-yl)-2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 136839464) has the molecular formula C14H16N6S and a molecular weight of 300.39 g/mol. Its IUPAC name is 7-(1-methylpyrazol-4-yl)-2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(1-methylpyrazol-4-yl)-2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID136839464
Molecular FormulaC14H16N6S
Molecular Weight300.39 g/mol
Exact Mass300.12
IUPAC Name7-(1-methylpyrazol-4-yl)-2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1ccsc1-c1nc2n(n1)C(c1cnn(C)c1)CCN2
InChIInChI=1S/C14H16N6S/c1-9-4-6-21-12(9)13-17-14-15-5-3-11(20(14)18-13)10-7-16-19(2)8-10/h4,6-8,11H,3,5H2,1-2H3,(H,15,17,18)
InChIKeyLVDLQCKFXHUWJU-UHFFFAOYSA-N
XLogP2.45
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-(1-methylpyrazol-4-yl)-2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine 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 7-(1-methylpyrazol-4-yl)-2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(1-methylpyrazol-4-yl)-2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 136839464) is 7-(1-methylpyrazol-4-yl)-2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(1-methylpyrazol-4-yl)-2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(1-methylpyrazol-4-yl)-2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1ccsc1-c1nc2n(n1)C(c1cnn(C)c1)CCN2.
What is the InChIKey of 7-(1-methylpyrazol-4-yl)-2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is LVDLQCKFXHUWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6S/c1-9-4-6-21-12(9)13-17-14-15-5-3-11(20(14)18-13)10-7-16-19(2)8-10/h4,6-8,11H,3,5H2,1-2H3,(H,15,17,18).
What are the key properties of 7-(1-methylpyrazol-4-yl)-2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(1-methylpyrazol-4-yl)-2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 300.39 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methylpyrazol-4-yl)-2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136839464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).