N-[6-(2-methoxyethoxy)-3-pyridinyl]-2H-triazole-4-carboxamide

C11H13N5O3 — CID 112733407

IUPACN-[6-(2-methoxyethoxy)-3-pyridinyl]-2H-triazole-4-carboxamide
SMILESCOCCOc1ccc(NC(=O)c2cn[nH]n2)cn1
InChIInChI=1S/C11H13N5O3/c1-18-4-5-19-10-3-2-8(6-12-10)14-11(17)9-7-13-16-15-9/h2-3,6-7H,4-5H2,1H3,(H,14,17)(H,13,15,16)
InChIKeyBAXQBVCCSJCUPI-UHFFFAOYSA-N
MW263.26 g/mol
LogP0.48
Rot. Bonds6

About N-[6-(2-methoxyethoxy)-3-pyridinyl]-2H-triazole-4-carboxamide

N-[6-(2-methoxyethoxy)-3-pyridinyl]-2H-triazole-4-carboxamide (PubChem CID 112733407) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is N-[6-(2-methoxyethoxy)-3-pyridinyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-(2-methoxyethoxy)-3-pyridinyl]-2H-triazole-4-carboxamide
PubChem CID112733407
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC NameN-[6-(2-methoxyethoxy)-3-pyridinyl]-2H-triazole-4-carboxamide
SMILESCOCCOc1ccc(NC(=O)c2cn[nH]n2)cn1
InChIInChI=1S/C11H13N5O3/c1-18-4-5-19-10-3-2-8(6-12-10)14-11(17)9-7-13-16-15-9/h2-3,6-7H,4-5H2,1H3,(H,14,17)(H,13,15,16)
InChIKeyBAXQBVCCSJCUPI-UHFFFAOYSA-N
XLogP0.48
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[6-(2-methoxyethoxy)-3-pyridinyl]pyrazine-2-carboxamide
CID 43069859
4-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyridine-3-carboxamide
CID 81228254
N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-(methylamino)acetamide
CID 43704151
2-bromo-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide
CID 100773616
5-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pentanamide
CID 43697910
2-(aminomethyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 66376658
2-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]propanamide
CID 43704147
N-(6-ethoxy-3-pyridinyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103747377
N-[4-(carbamoylamino)phenyl]-2H-triazole-4-carboxamide
CID 47338316
3-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide
CID 62668693
2-bromo-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyridine-3-carboxamide
CID 103752362
N-(3,4-dimethylphenyl)-2H-triazole-4-carboxamide
CID 47334767

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methoxyethoxy)-3-pyridinyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[6-(2-methoxyethoxy)-3-pyridinyl]-2H-triazole-4-carboxamide (CID 112733407) is N-[6-(2-methoxyethoxy)-3-pyridinyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[6-(2-methoxyethoxy)-3-pyridinyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[6-(2-methoxyethoxy)-3-pyridinyl]-2H-triazole-4-carboxamide is COCCOc1ccc(NC(=O)c2cn[nH]n2)cn1.
What is the InChIKey of N-[6-(2-methoxyethoxy)-3-pyridinyl]-2H-triazole-4-carboxamide?
The InChIKey is BAXQBVCCSJCUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c1-18-4-5-19-10-3-2-8(6-12-10)14-11(17)9-7-13-16-15-9/h2-3,6-7H,4-5H2,1H3,(H,14,17)(H,13,15,16).
What are the key properties of N-[6-(2-methoxyethoxy)-3-pyridinyl]-2H-triazole-4-carboxamide?
N-[6-(2-methoxyethoxy)-3-pyridinyl]-2H-triazole-4-carboxamide has a molecular weight of 263.26 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methoxyethoxy)-3-pyridinyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 112733407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).