5-cyclopropyl-2-methoxy-4-methylimidazole-1-carboxamide

C9H13N3O2 — CID 175765367

IUPAC5-cyclopropyl-2-methoxy-4-methylimidazole-1-carboxamide
SMILESCOc1nc(C)c(C2CC2)n1C(N)=O
InChIInChI=1S/C9H13N3O2/c1-5-7(6-3-4-6)12(8(10)13)9(11-5)14-2/h6H,3-4H2,1-2H3,(H2,10,13)
InChIKeyPOFCBJAPZLSTML-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.00
Rot. Bonds2

About 5-cyclopropyl-2-methoxy-4-methylimidazole-1-carboxamide

5-cyclopropyl-2-methoxy-4-methylimidazole-1-carboxamide (PubChem CID 175765367) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 5-cyclopropyl-2-methoxy-4-methylimidazole-1-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-2-methoxy-4-methylimidazole-1-carboxamide
PubChem CID175765367
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name5-cyclopropyl-2-methoxy-4-methylimidazole-1-carboxamide
SMILESCOc1nc(C)c(C2CC2)n1C(N)=O
InChIInChI=1S/C9H13N3O2/c1-5-7(6-3-4-6)12(8(10)13)9(11-5)14-2/h6H,3-4H2,1-2H3,(H2,10,13)
InChIKeyPOFCBJAPZLSTML-UHFFFAOYSA-N
XLogP1.00
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-methoxy-4-methylimidazole-1-carboxamide?
The IUPAC name of 5-cyclopropyl-2-methoxy-4-methylimidazole-1-carboxamide (CID 175765367) is 5-cyclopropyl-2-methoxy-4-methylimidazole-1-carboxamide.
What is the SMILES notation for 5-cyclopropyl-2-methoxy-4-methylimidazole-1-carboxamide?
The canonical SMILES for 5-cyclopropyl-2-methoxy-4-methylimidazole-1-carboxamide is COc1nc(C)c(C2CC2)n1C(N)=O.
What is the InChIKey of 5-cyclopropyl-2-methoxy-4-methylimidazole-1-carboxamide?
The InChIKey is POFCBJAPZLSTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-5-7(6-3-4-6)12(8(10)13)9(11-5)14-2/h6H,3-4H2,1-2H3,(H2,10,13).
What are the key properties of 5-cyclopropyl-2-methoxy-4-methylimidazole-1-carboxamide?
5-cyclopropyl-2-methoxy-4-methylimidazole-1-carboxamide has a molecular weight of 195.22 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-methoxy-4-methylimidazole-1-carboxamide is sourced from PubChem (CID 175765367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).