[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol

C15H23N7O2 — CID 138386429

IUPAC[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol
SMILESCCn1ncnc1CN1CC2CN(c3noc(C)n3)CC2(CO)C1
InChIInChI=1S/C15H23N7O2/c1-3-22-13(16-10-17-22)6-20-4-12-5-21(8-15(12,7-20)9-23)14-18-11(2)24-19-14/h10,12,23H,3-9H2,1-2H3
InChIKeyYVJXVWLNSGBARZ-UHFFFAOYSA-N
MW333.40 g/mol
LogP-0.08
Rot. Bonds5

About [2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol

[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol (PubChem CID 138386429) has the molecular formula C15H23N7O2 and a molecular weight of 333.40 g/mol. Its IUPAC name is [2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol.

Molecular Properties

Compound Name[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol
PubChem CID138386429
Molecular FormulaC15H23N7O2
Molecular Weight333.40 g/mol
Exact Mass333.19
IUPAC Name[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol
SMILESCCn1ncnc1CN1CC2CN(c3noc(C)n3)CC2(CO)C1
InChIInChI=1S/C15H23N7O2/c1-3-22-13(16-10-17-22)6-20-4-12-5-21(8-15(12,7-20)9-23)14-18-11(2)24-19-14/h10,12,23H,3-9H2,1-2H3
InChIKeyYVJXVWLNSGBARZ-UHFFFAOYSA-N
XLogP-0.08
TPSA96.34 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol with MolForge

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Launch Full Analysis

Related Compounds

2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid;formic acid
CID 154921019
[3a-(hydroxymethyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone
CID 137345698
(2R)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperazine-2-carboxylic acid
CID 99957532
(6S)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine
CID 129345524
4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyl-6-(phenoxymethyl)morpholine
CID 128976072
1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-methylpiperidin-4-ol
CID 114502580
(2-ethyl-1,2,4-triazol-3-yl)methanol
CID 11412385
(3aS,6aR)-5-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 77078962
2-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-1,3-benzoxazole
CID 126811031
4-[[3a-(hydroxymethyl)-5-[(1-methylimidazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]methyl]-2-methyl-1H-pyrimidin-6-one
CID 138377922
2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[4.5]decane
CID 56750221
2-(chloromethyl)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-methylmorpholine
CID 102936635

Frequently Asked Questions

What is the IUPAC name of [2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol?
The IUPAC name of [2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol (CID 138386429) is [2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol.
What is the SMILES notation for [2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol?
The canonical SMILES for [2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol is CCn1ncnc1CN1CC2CN(c3noc(C)n3)CC2(CO)C1.
What is the InChIKey of [2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol?
The InChIKey is YVJXVWLNSGBARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O2/c1-3-22-13(16-10-17-22)6-20-4-12-5-21(8-15(12,7-20)9-23)14-18-11(2)24-19-14/h10,12,23H,3-9H2,1-2H3.
What are the key properties of [2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol?
[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol has a molecular weight of 333.40 g/mol, XLogP of -0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol is sourced from PubChem (CID 138386429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).