3-ethyl-5-hydroxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole

C10H14N6O — CID 118614150

IUPAC3-ethyl-5-hydroxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole
SMILESCCn1c(-c2n[nH]c(C)n2)nc2c1CN(O)C2
InChIInChI=1S/C10H14N6O/c1-3-16-8-5-15(17)4-7(8)12-10(16)9-11-6(2)13-14-9/h17H,3-5H2,1-2H3,(H,11,13,14)
InChIKeyNFCBDQPDXWMCBU-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.70
Rot. Bonds2

About 3-ethyl-5-hydroxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole

3-ethyl-5-hydroxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole (PubChem CID 118614150) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is 3-ethyl-5-hydroxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole.

Molecular Properties

Compound Name3-ethyl-5-hydroxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole
PubChem CID118614150
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name3-ethyl-5-hydroxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole
SMILESCCn1c(-c2n[nH]c(C)n2)nc2c1CN(O)C2
InChIInChI=1S/C10H14N6O/c1-3-16-8-5-15(17)4-7(8)12-10(16)9-11-6(2)13-14-9/h17H,3-5H2,1-2H3,(H,11,13,14)
InChIKeyNFCBDQPDXWMCBU-UHFFFAOYSA-N
XLogP0.70
TPSA82.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-Hydroxy-3-methyl-2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613863
3-(Difluoromethyl)-2-(2,5-dimethyl-1,2,4-triazol-3-yl)-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614083
3-(Difluoromethyl)-2-[1-(difluoromethyl)tetrazol-5-yl]-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614084
3-(Difluoromethyl)-5-hydroxy-2-(2-methyltetrazol-5-yl)-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614091
2-[4-(Difluoromethyl)-5-methyl-1,2,4-triazol-3-yl]-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614094
5-Hydroxy-3-methyl-2-[5-(trifluoromethyl)tetrazol-2-yl]-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614104
3-Ethyl-5-hydroxy-2-[5-(trifluoromethyl)tetrazol-2-yl]-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614106
2-[1-(Difluoromethyl)-1,2,4-triazol-3-yl]-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614134
2-[2-(Difluoromethyl)-1,2,4-triazol-3-yl]-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614141
2-[1-(Difluoromethyl)-1,2,4-triazol-3-yl]-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614143
2-[4-(Difluoromethyl)-1,2,4-triazol-3-yl]-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614149
2-[4-(Difluoromethyl)-1,2,4-triazol-3-yl]-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614152

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-hydroxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole?
The IUPAC name of 3-ethyl-5-hydroxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole (CID 118614150) is 3-ethyl-5-hydroxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole.
What is the SMILES notation for 3-ethyl-5-hydroxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole?
The canonical SMILES for 3-ethyl-5-hydroxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole is CCn1c(-c2n[nH]c(C)n2)nc2c1CN(O)C2.
What is the InChIKey of 3-ethyl-5-hydroxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole?
The InChIKey is NFCBDQPDXWMCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O/c1-3-16-8-5-15(17)4-7(8)12-10(16)9-11-6(2)13-14-9/h17H,3-5H2,1-2H3,(H,11,13,14).
What are the key properties of 3-ethyl-5-hydroxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole?
3-ethyl-5-hydroxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole has a molecular weight of 234.26 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-hydroxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole is sourced from PubChem (CID 118614150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).