5-(6-cyclopropylpyrimidin-4-yl)-2-[2-(triazol-1-yl)ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

C17H23N7 — CID 126932770

IUPAC5-(6-cyclopropylpyrimidin-4-yl)-2-[2-(triazol-1-yl)ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESc1cn(CCN2CC3CN(c4cc(C5CC5)ncn4)CC3C2)nn1
InChIInChI=1S/C17H23N7/c1-2-13(1)16-7-17(19-12-18-16)23-10-14-8-22(9-15(14)11-23)5-6-24-4-3-20-21-24/h3-4,7,12-15H,1-2,5-6,8-11H2
InChIKeyVVPMBZYLRJDISS-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.01
Rot. Bonds5

About 5-(6-cyclopropylpyrimidin-4-yl)-2-[2-(triazol-1-yl)ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

5-(6-cyclopropylpyrimidin-4-yl)-2-[2-(triazol-1-yl)ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 126932770) has the molecular formula C17H23N7 and a molecular weight of 325.42 g/mol. Its IUPAC name is 5-(6-cyclopropylpyrimidin-4-yl)-2-[2-(triazol-1-yl)ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-(6-cyclopropylpyrimidin-4-yl)-2-[2-(triazol-1-yl)ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID126932770
Molecular FormulaC17H23N7
Molecular Weight325.42 g/mol
Exact Mass325.20
IUPAC Name5-(6-cyclopropylpyrimidin-4-yl)-2-[2-(triazol-1-yl)ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESc1cn(CCN2CC3CN(c4cc(C5CC5)ncn4)CC3C2)nn1
InChIInChI=1S/C17H23N7/c1-2-13(1)16-7-17(19-12-18-16)23-10-14-8-22(9-15(14)11-23)5-6-24-4-3-20-21-24/h3-4,7,12-15H,1-2,5-6,8-11H2
InChIKeyVVPMBZYLRJDISS-UHFFFAOYSA-N
XLogP1.01
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(6-cyclopropylpyrimidin-4-yl)-2-[2-(triazol-1-yl)ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole 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

1-[2-[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]pyrimidin-2-one
CID 126932752
5-[2-[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]-3-methyl-1,2-oxazole
CID 126932787
5-[[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,2,4-oxadiazole
CID 126932768
5-(6-cyclopropylpyrimidin-4-yl)-2-[(1-methylimidazol-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126932785
4-[[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-oxazole
CID 126932779
5-[[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1-methylpyrimidin-2-one
CID 126932734
6-[[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1-methylpyrimidin-2-one
CID 126932740
5-[[5-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,2,4-oxadiazole
CID 126933770
3-[[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-methyl-1,2-oxazole
CID 126932790
5-(3-fluoro-2-pyridinyl)-2-[2-(triazol-1-yl)ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 163347891
5-[[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-2-methyl-1,3-thiazole
CID 126932774
1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-ol
CID 126850197

Frequently Asked Questions

What is the IUPAC name of 5-(6-cyclopropylpyrimidin-4-yl)-2-[2-(triazol-1-yl)ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-(6-cyclopropylpyrimidin-4-yl)-2-[2-(triazol-1-yl)ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 126932770) is 5-(6-cyclopropylpyrimidin-4-yl)-2-[2-(triazol-1-yl)ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-(6-cyclopropylpyrimidin-4-yl)-2-[2-(triazol-1-yl)ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-(6-cyclopropylpyrimidin-4-yl)-2-[2-(triazol-1-yl)ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is c1cn(CCN2CC3CN(c4cc(C5CC5)ncn4)CC3C2)nn1.
What is the InChIKey of 5-(6-cyclopropylpyrimidin-4-yl)-2-[2-(triazol-1-yl)ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is VVPMBZYLRJDISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7/c1-2-13(1)16-7-17(19-12-18-16)23-10-14-8-22(9-15(14)11-23)5-6-24-4-3-20-21-24/h3-4,7,12-15H,1-2,5-6,8-11H2.
What are the key properties of 5-(6-cyclopropylpyrimidin-4-yl)-2-[2-(triazol-1-yl)ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
5-(6-cyclopropylpyrimidin-4-yl)-2-[2-(triazol-1-yl)ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 325.42 g/mol, XLogP of 1.01, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-cyclopropylpyrimidin-4-yl)-2-[2-(triazol-1-yl)ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 126932770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).