(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(1H-1,2,4-triazol-5-yl)methanone

C10H15N5O — CID 66209764

IUPAC(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(1H-1,2,4-triazol-5-yl)methanone
SMILESCC1C2CNCC2CN1C(=O)c1ncn[nH]1
InChIInChI=1S/C10H15N5O/c1-6-8-3-11-2-7(8)4-15(6)10(16)9-12-5-13-14-9/h5-8,11H,2-4H2,1H3,(H,12,13,14)
InChIKeyDUSCYEHZHVEOLJ-UHFFFAOYSA-N
MW221.26 g/mol
LogP-0.52
Rot. Bonds1

About (4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(1H-1,2,4-triazol-5-yl)methanone

(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(1H-1,2,4-triazol-5-yl)methanone (PubChem CID 66209764) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is (4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(1H-1,2,4-triazol-5-yl)methanone.

Molecular Properties

Compound Name(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(1H-1,2,4-triazol-5-yl)methanone
PubChem CID66209764
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(1H-1,2,4-triazol-5-yl)methanone
SMILESCC1C2CNCC2CN1C(=O)c1ncn[nH]1
InChIInChI=1S/C10H15N5O/c1-6-8-3-11-2-7(8)4-15(6)10(16)9-12-5-13-14-9/h5-8,11H,2-4H2,1H3,(H,12,13,14)
InChIKeyDUSCYEHZHVEOLJ-UHFFFAOYSA-N
XLogP-0.52
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(1H-1,2,4-triazol-5-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(1H-1,2,4-triazol-5-yl)methanone?
The IUPAC name of (4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(1H-1,2,4-triazol-5-yl)methanone (CID 66209764) is (4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(1H-1,2,4-triazol-5-yl)methanone.
What is the SMILES notation for (4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(1H-1,2,4-triazol-5-yl)methanone?
The canonical SMILES for (4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(1H-1,2,4-triazol-5-yl)methanone is CC1C2CNCC2CN1C(=O)c1ncn[nH]1.
What is the InChIKey of (4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(1H-1,2,4-triazol-5-yl)methanone?
The InChIKey is DUSCYEHZHVEOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-6-8-3-11-2-7(8)4-15(6)10(16)9-12-5-13-14-9/h5-8,11H,2-4H2,1H3,(H,12,13,14).
What are the key properties of (4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(1H-1,2,4-triazol-5-yl)methanone?
(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(1H-1,2,4-triazol-5-yl)methanone has a molecular weight of 221.26 g/mol, XLogP of -0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(1H-1,2,4-triazol-5-yl)methanone is sourced from PubChem (CID 66209764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).