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

C13H22N4O2 — CID 118613883

IUPACN,N-diethyl-5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
SMILESCCN(CC)C(=O)c1nc2c(n1C(C)C)CN(O)C2
InChIInChI=1S/C13H22N4O2/c1-5-15(6-2)13(18)12-14-10-7-16(19)8-11(10)17(12)9(3)4/h9,19H,5-8H2,1-4H3
InChIKeyJYQAXYVVJJYIBU-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.65
Rot. Bonds4

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

N,N-diethyl-5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide (PubChem CID 118613883) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N,N-diethyl-5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
PubChem CID118613883
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN,N-diethyl-5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
SMILESCCN(CC)C(=O)c1nc2c(n1C(C)C)CN(O)C2
InChIInChI=1S/C13H22N4O2/c1-5-15(6-2)13(18)12-14-10-7-16(19)8-11(10)17(12)9(3)4/h9,19H,5-8H2,1-4H3
InChIKeyJYQAXYVVJJYIBU-UHFFFAOYSA-N
XLogP1.65
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide?
The IUPAC name of N,N-diethyl-5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide (CID 118613883) is N,N-diethyl-5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide.
What is the SMILES notation for N,N-diethyl-5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide?
The canonical SMILES for N,N-diethyl-5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide is CCN(CC)C(=O)c1nc2c(n1C(C)C)CN(O)C2.
What is the InChIKey of N,N-diethyl-5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide?
The InChIKey is JYQAXYVVJJYIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-5-15(6-2)13(18)12-14-10-7-16(19)8-11(10)17(12)9(3)4/h9,19H,5-8H2,1-4H3.
What are the key properties of N,N-diethyl-5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide?
N,N-diethyl-5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide is sourced from PubChem (CID 118613883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).