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

C11H18N4O2 — CID 118613847

IUPAC3-ethyl-5-hydroxy-N-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
SMILESCCn1c(C(=O)NC(C)C)nc2c1CN(O)C2
InChIInChI=1S/C11H18N4O2/c1-4-15-9-6-14(17)5-8(9)13-10(15)11(16)12-7(2)3/h7,17H,4-6H2,1-3H3,(H,12,16)
InChIKeyHMVBVAIUWBLMSN-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.75
Rot. Bonds3

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

3-ethyl-5-hydroxy-N-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide (PubChem CID 118613847) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-ethyl-5-hydroxy-N-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide.

Molecular Properties

Compound Name3-ethyl-5-hydroxy-N-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
PubChem CID118613847
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name3-ethyl-5-hydroxy-N-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
SMILESCCn1c(C(=O)NC(C)C)nc2c1CN(O)C2
InChIInChI=1S/C11H18N4O2/c1-4-15-9-6-14(17)5-8(9)13-10(15)11(16)12-7(2)3/h7,17H,4-6H2,1-3H3,(H,12,16)
InChIKeyHMVBVAIUWBLMSN-UHFFFAOYSA-N
XLogP0.75
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-hydroxy-N-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide?
The IUPAC name of 3-ethyl-5-hydroxy-N-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide (CID 118613847) is 3-ethyl-5-hydroxy-N-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide.
What is the SMILES notation for 3-ethyl-5-hydroxy-N-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide?
The canonical SMILES for 3-ethyl-5-hydroxy-N-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide is CCn1c(C(=O)NC(C)C)nc2c1CN(O)C2.
What is the InChIKey of 3-ethyl-5-hydroxy-N-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide?
The InChIKey is HMVBVAIUWBLMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-4-15-9-6-14(17)5-8(9)13-10(15)11(16)12-7(2)3/h7,17H,4-6H2,1-3H3,(H,12,16).
What are the key properties of 3-ethyl-5-hydroxy-N-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide?
3-ethyl-5-hydroxy-N-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-hydroxy-N-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide is sourced from PubChem (CID 118613847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).