N-cyclopropyl-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide

C11H16N4O2 — CID 118613842

IUPACN-cyclopropyl-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
SMILESCCn1c(C(=O)NC2CC2)nc2c1CN(O)C2
InChIInChI=1S/C11H16N4O2/c1-2-15-9-6-14(17)5-8(9)13-10(15)11(16)12-7-3-4-7/h7,17H,2-6H2,1H3,(H,12,16)
InChIKeyCPKWTFKJAWZHGR-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.50
Rot. Bonds3

About N-cyclopropyl-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide

N-cyclopropyl-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide (PubChem CID 118613842) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-cyclopropyl-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
PubChem CID118613842
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC NameN-cyclopropyl-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
SMILESCCn1c(C(=O)NC2CC2)nc2c1CN(O)C2
InChIInChI=1S/C11H16N4O2/c1-2-15-9-6-14(17)5-8(9)13-10(15)11(16)12-7-3-4-7/h7,17H,2-6H2,1H3,(H,12,16)
InChIKeyCPKWTFKJAWZHGR-UHFFFAOYSA-N
XLogP0.50
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide?
The IUPAC name of N-cyclopropyl-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide (CID 118613842) is N-cyclopropyl-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide?
The canonical SMILES for N-cyclopropyl-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide is CCn1c(C(=O)NC2CC2)nc2c1CN(O)C2.
What is the InChIKey of N-cyclopropyl-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide?
The InChIKey is CPKWTFKJAWZHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-2-15-9-6-14(17)5-8(9)13-10(15)11(16)12-7-3-4-7/h7,17H,2-6H2,1H3,(H,12,16).
What are the key properties of N-cyclopropyl-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide?
N-cyclopropyl-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide is sourced from PubChem (CID 118613842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).