5-(cyclopropylmethyl)-2-(1-methyl-1,2,4-triazole-3-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one

C15H21N5O2 — CID 131683122

IUPAC5-(cyclopropylmethyl)-2-(1-methyl-1,2,4-triazole-3-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
SMILESCn1cnc(C(=O)N2CC3CCN(CC4CC4)C(=O)C3C2)n1
InChIInChI=1S/C15H21N5O2/c1-18-9-16-13(17-18)15(22)20-7-11-4-5-19(6-10-2-3-10)14(21)12(11)8-20/h9-12H,2-8H2,1H3
InChIKeyVDNDLLNJRKTEGE-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.15
Rot. Bonds3

About 5-(cyclopropylmethyl)-2-(1-methyl-1,2,4-triazole-3-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one

5-(cyclopropylmethyl)-2-(1-methyl-1,2,4-triazole-3-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one (PubChem CID 131683122) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-2-(1-methyl-1,2,4-triazole-3-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-2-(1-methyl-1,2,4-triazole-3-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
PubChem CID131683122
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name5-(cyclopropylmethyl)-2-(1-methyl-1,2,4-triazole-3-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
SMILESCn1cnc(C(=O)N2CC3CCN(CC4CC4)C(=O)C3C2)n1
InChIInChI=1S/C15H21N5O2/c1-18-9-16-13(17-18)15(22)20-7-11-4-5-19(6-10-2-3-10)14(21)12(11)8-20/h9-12H,2-8H2,1H3
InChIKeyVDNDLLNJRKTEGE-UHFFFAOYSA-N
XLogP0.15
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(cyclopropylmethyl)-2-(1-methyl-1,2,4-triazole-3-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one with MolForge

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Related Compounds

5-(cyclopropylmethyl)-2-(1-methylcyclohex-3-ene-1-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 131683041
(3aR,6aR)-5-(cyclopropylmethyl)-2-(4-methylthiophene-2-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 155872621
(3aR,6aR)-5-(cyclopropylmethyl)-2-(2,4-dimethoxybenzoyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 155876393
(3aS,7aR)-5-(cyclopropylmethyl)-2-propylsulfonyl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 97403058
2-(pyrazine-2-carbonyl)-5-(pyridin-3-ylmethyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 131654297
(3aS,7aR)-5-(2-methoxyethyl)-2-(thiophene-3-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 125205857
(3aS,6aR)-5-(cyclopropylmethyl)-2-[(1-methylimidazol-2-yl)methyl]-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 124816637
2-[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]-5-(pyridin-3-ylmethyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 131679928
2-[1-[5-(cyclopropylmethyl)-4-oxo-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-2-yl]cyclobutyl]acetic acid
CID 131683079
[(5aR,9aS)-4-prop-2-enyl-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepin-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone
CID 131684006
(3aR,7aS)-5-methyl-2-(5-methyl-1,2-oxazole-3-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 138380797
(3aS,7aS)-2-(2-cyclopropylacetyl)-5-pyrimidin-5-yl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 97403165

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-2-(1-methyl-1,2,4-triazole-3-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one?
The IUPAC name of 5-(cyclopropylmethyl)-2-(1-methyl-1,2,4-triazole-3-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one (CID 131683122) is 5-(cyclopropylmethyl)-2-(1-methyl-1,2,4-triazole-3-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one.
What is the SMILES notation for 5-(cyclopropylmethyl)-2-(1-methyl-1,2,4-triazole-3-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one?
The canonical SMILES for 5-(cyclopropylmethyl)-2-(1-methyl-1,2,4-triazole-3-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one is Cn1cnc(C(=O)N2CC3CCN(CC4CC4)C(=O)C3C2)n1.
What is the InChIKey of 5-(cyclopropylmethyl)-2-(1-methyl-1,2,4-triazole-3-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one?
The InChIKey is VDNDLLNJRKTEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-18-9-16-13(17-18)15(22)20-7-11-4-5-19(6-10-2-3-10)14(21)12(11)8-20/h9-12H,2-8H2,1H3.
What are the key properties of 5-(cyclopropylmethyl)-2-(1-methyl-1,2,4-triazole-3-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one?
5-(cyclopropylmethyl)-2-(1-methyl-1,2,4-triazole-3-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one has a molecular weight of 303.37 g/mol, XLogP of 0.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-2-(1-methyl-1,2,4-triazole-3-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one is sourced from PubChem (CID 131683122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).