4-amino-1-ethyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-2-carboxamide

C11H16N6O — CID 64512518

IUPAC4-amino-1-ethyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)N(C)Cc1ncn[nH]1
InChIInChI=1S/C11H16N6O/c1-3-17-5-8(12)4-9(17)11(18)16(2)6-10-13-7-14-15-10/h4-5,7H,3,6,12H2,1-2H3,(H,13,14,15)
InChIKeyFRZYYAKJNNFXLS-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.48
Rot. Bonds4

About 4-amino-1-ethyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-2-carboxamide

4-amino-1-ethyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-2-carboxamide (PubChem CID 64512518) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-2-carboxamide
PubChem CID64512518
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name4-amino-1-ethyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)N(C)Cc1ncn[nH]1
InChIInChI=1S/C11H16N6O/c1-3-17-5-8(12)4-9(17)11(18)16(2)6-10-13-7-14-15-10/h4-5,7H,3,6,12H2,1-2H3,(H,13,14,15)
InChIKeyFRZYYAKJNNFXLS-UHFFFAOYSA-N
XLogP0.48
TPSA92.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-amino-1-ethyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-2-carboxamide (CID 64512518) is 4-amino-1-ethyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-2-carboxamide is CCn1cc(N)cc1C(=O)N(C)Cc1ncn[nH]1.
What is the InChIKey of 4-amino-1-ethyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is FRZYYAKJNNFXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-3-17-5-8(12)4-9(17)11(18)16(2)6-10-13-7-14-15-10/h4-5,7H,3,6,12H2,1-2H3,(H,13,14,15).
What are the key properties of 4-amino-1-ethyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-2-carboxamide?
4-amino-1-ethyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 64512518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).