2-cyclopropyl-6-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidine

C13H13F3N6 — CID 166368570

IUPAC2-cyclopropyl-6-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESCn1nc(C(F)(F)F)nc1N1Cc2cnc(C3CC3)nc2C1
InChIInChI=1S/C13H13F3N6/c1-21-12(19-11(20-21)13(14,15)16)22-5-8-4-17-10(7-2-3-7)18-9(8)6-22/h4,7H,2-3,5-6H2,1H3
InChIKeyVEDQLJRSZXQTJY-UHFFFAOYSA-N
MW310.28 g/mol
LogP2.02
Rot. Bonds2

About 2-cyclopropyl-6-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidine

2-cyclopropyl-6-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidine (PubChem CID 166368570) has the molecular formula C13H13F3N6 and a molecular weight of 310.28 g/mol. Its IUPAC name is 2-cyclopropyl-6-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-cyclopropyl-6-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidine
PubChem CID166368570
Molecular FormulaC13H13F3N6
Molecular Weight310.28 g/mol
Exact Mass310.12
IUPAC Name2-cyclopropyl-6-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESCn1nc(C(F)(F)F)nc1N1Cc2cnc(C3CC3)nc2C1
InChIInChI=1S/C13H13F3N6/c1-21-12(19-11(20-21)13(14,15)16)22-5-8-4-17-10(7-2-3-7)18-9(8)6-22/h4,7H,2-3,5-6H2,1H3
InChIKeyVEDQLJRSZXQTJY-UHFFFAOYSA-N
XLogP2.02
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-cyclopropyl-6-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-5,7-dihydropyrrolo[3,4-d]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 2-cyclopropyl-6-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2-cyclopropyl-6-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidine (CID 166368570) is 2-cyclopropyl-6-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-cyclopropyl-6-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2-cyclopropyl-6-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidine is Cn1nc(C(F)(F)F)nc1N1Cc2cnc(C3CC3)nc2C1.
What is the InChIKey of 2-cyclopropyl-6-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The InChIKey is VEDQLJRSZXQTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N6/c1-21-12(19-11(20-21)13(14,15)16)22-5-8-4-17-10(7-2-3-7)18-9(8)6-22/h4,7H,2-3,5-6H2,1H3.
What are the key properties of 2-cyclopropyl-6-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidine?
2-cyclopropyl-6-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidine has a molecular weight of 310.28 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 166368570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).