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

C12H21N5O — CID 55029706

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-cycloheptylacetamide
SMILESNCc1cn(CC(=O)NC2CCCCCC2)nn1
InChIInChI=1S/C12H21N5O/c13-7-11-8-17(16-15-11)9-12(18)14-10-5-3-1-2-4-6-10/h8,10H,1-7,9,13H2,(H,14,18)
InChIKeyQXWXYLJGTCPZKO-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.58
Rot. Bonds4

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

2-[4-(aminomethyl)triazol-1-yl]-N-cycloheptylacetamide (PubChem CID 55029706) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-cycloheptylacetamide
PubChem CID55029706
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-cycloheptylacetamide
SMILESNCc1cn(CC(=O)NC2CCCCCC2)nn1
InChIInChI=1S/C12H21N5O/c13-7-11-8-17(16-15-11)9-12(18)14-10-5-3-1-2-4-6-10/h8,10H,1-7,9,13H2,(H,14,18)
InChIKeyQXWXYLJGTCPZKO-UHFFFAOYSA-N
XLogP0.58
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-N-cyclooctylacetamide
CID 115458881
2-[4-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]piperidin-1-yl]acetamide
CID 115459189
2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-cyclopropylacetamide
CID 115458990
1-[2-(cyclohexylamino)-2-oxoethyl]triazole-4-carboxylic acid
CID 55134032
2-[4-(aminomethyl)triazol-1-yl]-N-(2-methylcyclopentyl)acetamide
CID 115459863
2-[4-(1-aminoethyl)triazol-1-yl]-N-cyclohexylacetamide
CID 114420022
2-[4-(aminomethyl)triazol-1-yl]-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide
CID 115459133
4-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-cyclopropylbutanamide
CID 115460101
N-cycloheptyl-2-(4-formyltriazol-1-yl)acetamide
CID 66215796
2-[4-(aminomethyl)triazol-1-yl]-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)acetamide
CID 115460242
N-cycloheptyl-2-[4-[(4-methylphenoxy)methyl]triazol-1-yl]acetamide
CID 138029887
2-[4-(aminomethyl)triazol-1-yl]-N-(2-methylsulfanylcyclopentyl)acetamide
CID 114121457

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-cycloheptylacetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-cycloheptylacetamide (CID 55029706) is 2-[4-(aminomethyl)triazol-1-yl]-N-cycloheptylacetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-cycloheptylacetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-cycloheptylacetamide is NCc1cn(CC(=O)NC2CCCCCC2)nn1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-cycloheptylacetamide?
The InChIKey is QXWXYLJGTCPZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c13-7-11-8-17(16-15-11)9-12(18)14-10-5-3-1-2-4-6-10/h8,10H,1-7,9,13H2,(H,14,18).
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-cycloheptylacetamide?
2-[4-(aminomethyl)triazol-1-yl]-N-cycloheptylacetamide has a molecular weight of 251.33 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-N-cycloheptylacetamide is sourced from PubChem (CID 55029706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).