2-amino-5-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid

C11H14N6O2 — CID 114195553

IUPAC2-amino-5-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid
SMILESCCn1cnnc1CNc1cnc(N)cc1C(=O)O
InChIInChI=1S/C11H14N6O2/c1-2-17-6-15-16-10(17)5-13-8-4-14-9(12)3-7(8)11(18)19/h3-4,6,13H,2,5H2,1H3,(H2,12,14)(H,18,19)
InChIKeyNLLDQQGZNMJKTG-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.59
Rot. Bonds5

About 2-amino-5-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid

2-amino-5-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid (PubChem CID 114195553) has the molecular formula C11H14N6O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-amino-5-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid
PubChem CID114195553
Molecular FormulaC11H14N6O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Name2-amino-5-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid
SMILESCCn1cnnc1CNc1cnc(N)cc1C(=O)O
InChIInChI=1S/C11H14N6O2/c1-2-17-6-15-16-10(17)5-13-8-4-14-9(12)3-7(8)11(18)19/h3-4,6,13H,2,5H2,1H3,(H2,12,14)(H,18,19)
InChIKeyNLLDQQGZNMJKTG-UHFFFAOYSA-N
XLogP0.59
TPSA118.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-amino-5-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

4-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-6-methylpyridine-3-carboxylic acid
CID 114170871
2-amino-3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]benzoic acid
CID 114170962
3-amino-4-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]benzoic acid
CID 106304038
3-amino-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]benzoic acid
CID 106304058
4-amino-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-N-methylbenzamide
CID 106302003
3-bromo-4-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]benzoic acid
CID 106304223
3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carbothioamide
CID 106302999
2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-fluoropyridine-4-carboxylic acid
CID 114170880
2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid
CID 106303289
methyl 3-amino-4-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]benzoate
CID 106304059
2-bromo-6-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]benzoic acid
CID 114170983
1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-iodobenzene-1,4-diamine
CID 114170703

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid?
The IUPAC name of 2-amino-5-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid (CID 114195553) is 2-amino-5-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-amino-5-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-amino-5-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid is CCn1cnnc1CNc1cnc(N)cc1C(=O)O.
What is the InChIKey of 2-amino-5-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid?
The InChIKey is NLLDQQGZNMJKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2/c1-2-17-6-15-16-10(17)5-13-8-4-14-9(12)3-7(8)11(18)19/h3-4,6,13H,2,5H2,1H3,(H2,12,14)(H,18,19).
What are the key properties of 2-amino-5-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid?
2-amino-5-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid has a molecular weight of 262.27 g/mol, XLogP of 0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 114195553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).