4-amino-1-methylpyrrole-2-carboxamide;hydrochloride

C6H10ClN3O — CID 43810482

IUPAC4-amino-1-methylpyrrole-2-carboxamide;hydrochloride
SMILESCl.Cn1cc(N)cc1C(N)=O
InChIInChI=1S/C6H9N3O.ClH/c1-9-3-4(7)2-5(9)6(8)10;/h2-3H,7H2,1H3,(H2,8,10);1H
InChIKeyLJGGXAODUURXRA-UHFFFAOYSA-N
MW175.62 g/mol
LogP0.13
Rot. Bonds1

About 4-amino-1-methylpyrrole-2-carboxamide;hydrochloride

4-amino-1-methylpyrrole-2-carboxamide;hydrochloride (PubChem CID 43810482) has the molecular formula C6H10ClN3O and a molecular weight of 175.62 g/mol. Its IUPAC name is 4-amino-1-methylpyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-amino-1-methylpyrrole-2-carboxamide;hydrochloride
PubChem CID43810482
Molecular FormulaC6H10ClN3O
Molecular Weight175.62 g/mol
Exact Mass175.05
IUPAC Name4-amino-1-methylpyrrole-2-carboxamide;hydrochloride
SMILESCl.Cn1cc(N)cc1C(N)=O
InChIInChI=1S/C6H9N3O.ClH/c1-9-3-4(7)2-5(9)6(8)10;/h2-3H,7H2,1H3,(H2,8,10);1H
InChIKeyLJGGXAODUURXRA-UHFFFAOYSA-N
XLogP0.13
TPSA74.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.62
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methylpyrrole-2-carboxamide;hydrochloride?
The IUPAC name of 4-amino-1-methylpyrrole-2-carboxamide;hydrochloride (CID 43810482) is 4-amino-1-methylpyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-amino-1-methylpyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for 4-amino-1-methylpyrrole-2-carboxamide;hydrochloride is Cl.Cn1cc(N)cc1C(N)=O.
What is the InChIKey of 4-amino-1-methylpyrrole-2-carboxamide;hydrochloride?
The InChIKey is LJGGXAODUURXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O.ClH/c1-9-3-4(7)2-5(9)6(8)10;/h2-3H,7H2,1H3,(H2,8,10);1H.
What are the key properties of 4-amino-1-methylpyrrole-2-carboxamide;hydrochloride?
4-amino-1-methylpyrrole-2-carboxamide;hydrochloride has a molecular weight of 175.62 g/mol, XLogP of 0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methylpyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 43810482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).