N-[(3-ethyl-2-pyridinyl)methyl]-2H-triazole-4-carboxamide

C11H13N5O — CID 82748926

IUPACN-[(3-ethyl-2-pyridinyl)methyl]-2H-triazole-4-carboxamide
SMILESCCc1cccnc1CNC(=O)c1cn[nH]n1
InChIInChI=1S/C11H13N5O/c1-2-8-4-3-5-12-9(8)6-13-11(17)10-7-14-16-15-10/h3-5,7H,2,6H2,1H3,(H,13,17)(H,14,15,16)
InChIKeyOUIQSDFMEQTDIJ-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.69
Rot. Bonds4

About N-[(3-ethyl-2-pyridinyl)methyl]-2H-triazole-4-carboxamide

N-[(3-ethyl-2-pyridinyl)methyl]-2H-triazole-4-carboxamide (PubChem CID 82748926) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is N-[(3-ethyl-2-pyridinyl)methyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-ethyl-2-pyridinyl)methyl]-2H-triazole-4-carboxamide
PubChem CID82748926
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC NameN-[(3-ethyl-2-pyridinyl)methyl]-2H-triazole-4-carboxamide
SMILESCCc1cccnc1CNC(=O)c1cn[nH]n1
InChIInChI=1S/C11H13N5O/c1-2-8-4-3-5-12-9(8)6-13-11(17)10-7-14-16-15-10/h3-5,7H,2,6H2,1H3,(H,13,17)(H,14,15,16)
InChIKeyOUIQSDFMEQTDIJ-UHFFFAOYSA-N
XLogP0.69
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 104742770
N-[(3-ethyl-2-pyridinyl)methyl]-3-(methylamino)pyridine-4-carboxamide
CID 105070941
N-[(3-ethyl-2-pyridinyl)methyl]-4-methyl-2-(methylamino)benzamide
CID 82733988
N-[(3-ethyl-2-pyridinyl)methyl]-4-(methylamino)benzamide
CID 82743343
N-[(3-ethyl-2-pyridinyl)methyl]-5-hydroxypyridine-3-carboxamide
CID 82739232
N-[(3-ethyl-2-pyridinyl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 82744064
2-hydroxyethyl N-[(3-ethyl-2-pyridinyl)methyl]carbamate
CID 82744779
2-(ethylamino)-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 82734231
6-amino-3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 82744378
2,6-dichloro-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 106994204
2-(aminomethyl)-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 82738139
2-bromo-N-[(3-ethyl-2-pyridinyl)methyl]furan-3-carboxamide
CID 106854223

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-2H-triazole-4-carboxamide (CID 82748926) is N-[(3-ethyl-2-pyridinyl)methyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[(3-ethyl-2-pyridinyl)methyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[(3-ethyl-2-pyridinyl)methyl]-2H-triazole-4-carboxamide is CCc1cccnc1CNC(=O)c1cn[nH]n1.
What is the InChIKey of N-[(3-ethyl-2-pyridinyl)methyl]-2H-triazole-4-carboxamide?
The InChIKey is OUIQSDFMEQTDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-2-8-4-3-5-12-9(8)6-13-11(17)10-7-14-16-15-10/h3-5,7H,2,6H2,1H3,(H,13,17)(H,14,15,16).
What are the key properties of N-[(3-ethyl-2-pyridinyl)methyl]-2H-triazole-4-carboxamide?
N-[(3-ethyl-2-pyridinyl)methyl]-2H-triazole-4-carboxamide has a molecular weight of 231.26 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-2-pyridinyl)methyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 82748926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).