2-[4-(aminomethyl)triazol-1-yl]-N-(1-methoxypentan-2-yl)acetamide

C11H21N5O2 — CID 113314205

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-(1-methoxypentan-2-yl)acetamide
SMILESCCCC(COC)NC(=O)Cn1cc(CN)nn1
InChIInChI=1S/C11H21N5O2/c1-3-4-9(8-18-2)13-11(17)7-16-6-10(5-12)14-15-16/h6,9H,3-5,7-8,12H2,1-2H3,(H,13,17)
InChIKeyUBRGLIZYGSKCBZ-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.33
Rot. Bonds8

About 2-[4-(aminomethyl)triazol-1-yl]-N-(1-methoxypentan-2-yl)acetamide

2-[4-(aminomethyl)triazol-1-yl]-N-(1-methoxypentan-2-yl)acetamide (PubChem CID 113314205) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-(1-methoxypentan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-(1-methoxypentan-2-yl)acetamide
PubChem CID113314205
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-(1-methoxypentan-2-yl)acetamide
SMILESCCCC(COC)NC(=O)Cn1cc(CN)nn1
InChIInChI=1S/C11H21N5O2/c1-3-4-9(8-18-2)13-11(17)7-16-6-10(5-12)14-15-16/h6,9H,3-5,7-8,12H2,1-2H3,(H,13,17)
InChIKeyUBRGLIZYGSKCBZ-UHFFFAOYSA-N
XLogP-0.33
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide
CID 106188363
methyl (2S)-2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]propanoate
CID 115459166
methyl (2S)-2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-3-methylbutanoate
CID 115459149
2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]butanoic acid
CID 113314112
1-[4-(aminomethyl)triazol-1-yl]-5-methoxy-3-methylpentan-2-one
CID 116599756
2-[4-(aminomethyl)triazol-1-yl]-N-(1-thiophen-2-ylbutyl)acetamide
CID 115459676
(2S,3R)-2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-3-methylpentanoic acid
CID 155809964
2-amino-N-[[1-[2-oxo-2-(pentan-3-ylamino)ethyl]triazol-4-yl]methyl]acetamide
CID 114778830
2-[4-(methylaminomethyl)triazol-1-yl]-N-pentan-2-ylacetamide
CID 66192119
2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-4-hydroxybutanoic acid
CID 113314121
2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-ethyl-N-methylpropanamide
CID 103109183
2-[4-(aminomethyl)triazol-1-yl]-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 115459604

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(1-methoxypentan-2-yl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(1-methoxypentan-2-yl)acetamide (CID 113314205) is 2-[4-(aminomethyl)triazol-1-yl]-N-(1-methoxypentan-2-yl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-(1-methoxypentan-2-yl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-(1-methoxypentan-2-yl)acetamide is CCCC(COC)NC(=O)Cn1cc(CN)nn1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-(1-methoxypentan-2-yl)acetamide?
The InChIKey is UBRGLIZYGSKCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2/c1-3-4-9(8-18-2)13-11(17)7-16-6-10(5-12)14-15-16/h6,9H,3-5,7-8,12H2,1-2H3,(H,13,17).
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-(1-methoxypentan-2-yl)acetamide?
2-[4-(aminomethyl)triazol-1-yl]-N-(1-methoxypentan-2-yl)acetamide has a molecular weight of 255.32 g/mol, XLogP of -0.33, 8 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-(1-methoxypentan-2-yl)acetamide is sourced from PubChem (CID 113314205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).