N,1-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrole-2-carboxamide

C11H15N5O — CID 64510991

IUPACN,1-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrole-2-carboxamide
SMILESCc1nc(CN(C)C(=O)c2cccn2C)n[nH]1
InChIInChI=1S/C11H15N5O/c1-8-12-10(14-13-8)7-16(3)11(17)9-5-4-6-15(9)2/h4-6H,7H2,1-3H3,(H,12,13,14)
InChIKeyCQGCROILAFFJED-UHFFFAOYSA-N
MW233.28 g/mol
LogP0.72
Rot. Bonds3

About N,1-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrole-2-carboxamide

N,1-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrole-2-carboxamide (PubChem CID 64510991) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is N,1-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrole-2-carboxamide
PubChem CID64510991
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC NameN,1-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrole-2-carboxamide
SMILESCc1nc(CN(C)C(=O)c2cccn2C)n[nH]1
InChIInChI=1S/C11H15N5O/c1-8-12-10(14-13-8)7-16(3)11(17)9-5-4-6-15(9)2/h4-6H,7H2,1-3H3,(H,12,13,14)
InChIKeyCQGCROILAFFJED-UHFFFAOYSA-N
XLogP0.72
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,1-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]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 N,1-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrole-2-carboxamide?
The IUPAC name of N,1-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrole-2-carboxamide (CID 64510991) is N,1-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for N,1-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrole-2-carboxamide is Cc1nc(CN(C)C(=O)c2cccn2C)n[nH]1.
What is the InChIKey of N,1-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrole-2-carboxamide?
The InChIKey is CQGCROILAFFJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-8-12-10(14-13-8)7-16(3)11(17)9-5-4-6-15(9)2/h4-6H,7H2,1-3H3,(H,12,13,14).
What are the key properties of N,1-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrole-2-carboxamide?
N,1-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrole-2-carboxamide has a molecular weight of 233.28 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 64510991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).