N-(2-methoxyethyl)-3-(1H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C14H15N5O2 — CID 137291262

IUPACN-(2-methoxyethyl)-3-(1H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCOCCNC(=O)c1ccc2nnc(-c3cc[nH]c3)n2c1
InChIInChI=1S/C14H15N5O2/c1-21-7-6-16-14(20)11-2-3-12-17-18-13(19(12)9-11)10-4-5-15-8-10/h2-5,8-9,15H,6-7H2,1H3,(H,16,20)
InChIKeyWVMHHXBAJIQBDP-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.10
Rot. Bonds5

About N-(2-methoxyethyl)-3-(1H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-(2-methoxyethyl)-3-(1H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 137291262) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(1H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(1H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID137291262
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC NameN-(2-methoxyethyl)-3-(1H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCOCCNC(=O)c1ccc2nnc(-c3cc[nH]c3)n2c1
InChIInChI=1S/C14H15N5O2/c1-21-7-6-16-14(20)11-2-3-12-17-18-13(19(12)9-11)10-4-5-15-8-10/h2-5,8-9,15H,6-7H2,1H3,(H,16,20)
InChIKeyWVMHHXBAJIQBDP-UHFFFAOYSA-N
XLogP1.10
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134800528
N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 157012736
3-cyclopropyl-N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134797761
CID 134797080
CID 134797080
3-[3,5-bis(trifluoromethyl)phenyl]-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134798880
N-[(3-chlorophenyl)methyl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134799823
3-[3,5-bis(trifluoromethyl)phenyl]-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134798846
ethyl 3-pyrimidin-5-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 25219507
N-(2-methoxyethyl)-1-methylpyrazole-4-carboxamide
CID 19474676
methyl 3-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 106754119
N-[2-(dimethylamino)ethyl]-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 50784714
4-methoxy-N-[2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]ethyl]benzamide
CID 25283344

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(1H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-3-(1H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 137291262) is N-(2-methoxyethyl)-3-(1H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-(1H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-3-(1H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is COCCNC(=O)c1ccc2nnc(-c3cc[nH]c3)n2c1.
What is the InChIKey of N-(2-methoxyethyl)-3-(1H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is WVMHHXBAJIQBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-21-7-6-16-14(20)11-2-3-12-17-18-13(19(12)9-11)10-4-5-15-8-10/h2-5,8-9,15H,6-7H2,1H3,(H,16,20).
What are the key properties of N-(2-methoxyethyl)-3-(1H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-(2-methoxyethyl)-3-(1H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 285.31 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(1H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 137291262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).