2-[4-(aminomethyl)triazol-1-yl]-N-[(3-ethyl-2-pyridinyl)methyl]acetamide

C13H18N6O — CID 82738334

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-[(3-ethyl-2-pyridinyl)methyl]acetamide
SMILESCCc1cccnc1CNC(=O)Cn1cc(CN)nn1
InChIInChI=1S/C13H18N6O/c1-2-10-4-3-5-15-12(10)7-16-13(20)9-19-8-11(6-14)17-18-19/h3-5,8H,2,6-7,9,14H2,1H3,(H,16,20)
InChIKeyFSEGLTQFBLWMRL-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.01
Rot. Bonds6

About 2-[4-(aminomethyl)triazol-1-yl]-N-[(3-ethyl-2-pyridinyl)methyl]acetamide

2-[4-(aminomethyl)triazol-1-yl]-N-[(3-ethyl-2-pyridinyl)methyl]acetamide (PubChem CID 82738334) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-[(3-ethyl-2-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-[(3-ethyl-2-pyridinyl)methyl]acetamide
PubChem CID82738334
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-[(3-ethyl-2-pyridinyl)methyl]acetamide
SMILESCCc1cccnc1CNC(=O)Cn1cc(CN)nn1
InChIInChI=1S/C13H18N6O/c1-2-10-4-3-5-15-12(10)7-16-13(20)9-19-8-11(6-14)17-18-19/h3-5,8H,2,6-7,9,14H2,1H3,(H,16,20)
InChIKeyFSEGLTQFBLWMRL-UHFFFAOYSA-N
XLogP0.01
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-amino-1,2,4-triazol-1-yl)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide
CID 82741688
2-[4-(aminomethyl)triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 62053793
2-[4-(aminomethyl)triazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 113314182
2-[4-(aminomethyl)triazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 113314181
3-amino-N-[(3-ethyl-2-pyridinyl)methyl]butanamide
CID 82738689
2-[4-(aminomethyl)triazol-1-yl]-N-(2,2-dimethylpropyl)acetamide
CID 115459566
2-[4-(aminomethyl)triazol-1-yl]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 115458883
3-amino-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 104742770
2-[4-(aminomethyl)triazol-1-yl]-N-(ethylcarbamoyl)acetamide
CID 62054135
2-[4-(aminomethyl)triazol-1-yl]-N-(3-methylbut-2-enyl)acetamide
CID 106186838
3-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N,2,2-trimethylpropanamide
CID 106276726
2-[4-(aminomethyl)triazol-1-yl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 113314102

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-[(3-ethyl-2-pyridinyl)methyl]acetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-[(3-ethyl-2-pyridinyl)methyl]acetamide (CID 82738334) is 2-[4-(aminomethyl)triazol-1-yl]-N-[(3-ethyl-2-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-[(3-ethyl-2-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-[(3-ethyl-2-pyridinyl)methyl]acetamide is CCc1cccnc1CNC(=O)Cn1cc(CN)nn1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-[(3-ethyl-2-pyridinyl)methyl]acetamide?
The InChIKey is FSEGLTQFBLWMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-2-10-4-3-5-15-12(10)7-16-13(20)9-19-8-11(6-14)17-18-19/h3-5,8H,2,6-7,9,14H2,1H3,(H,16,20).
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-[(3-ethyl-2-pyridinyl)methyl]acetamide?
2-[4-(aminomethyl)triazol-1-yl]-N-[(3-ethyl-2-pyridinyl)methyl]acetamide has a molecular weight of 274.33 g/mol, XLogP of 0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-N-[(3-ethyl-2-pyridinyl)methyl]acetamide is sourced from PubChem (CID 82738334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).