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

C14H25N5O — CID 115459933

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-[2-(4-methylcyclohexyl)ethyl]acetamide
SMILESCC1CCC(CCNC(=O)Cn2cc(CN)nn2)CC1
InChIInChI=1S/C14H25N5O/c1-11-2-4-12(5-3-11)6-7-16-14(20)10-19-9-13(8-15)17-18-19/h9,11-12H,2-8,10,15H2,1H3,(H,16,20)
InChIKeyXEQYFVBDYDHELV-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.07
Rot. Bonds6

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

2-[4-(aminomethyl)triazol-1-yl]-N-[2-(4-methylcyclohexyl)ethyl]acetamide (PubChem CID 115459933) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-[2-(4-methylcyclohexyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-[2-(4-methylcyclohexyl)ethyl]acetamide
PubChem CID115459933
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-[2-(4-methylcyclohexyl)ethyl]acetamide
SMILESCC1CCC(CCNC(=O)Cn2cc(CN)nn2)CC1
InChIInChI=1S/C14H25N5O/c1-11-2-4-12(5-3-11)6-7-16-14(20)10-19-9-13(8-15)17-18-19/h9,11-12H,2-8,10,15H2,1H3,(H,16,20)
InChIKeyXEQYFVBDYDHELV-UHFFFAOYSA-N
XLogP1.07
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-N-[2-[cyclopentyl(methyl)amino]ethyl]acetamide
CID 115459869
2-[4-(aminomethyl)triazol-1-yl]-N-(2,2-dimethylpropyl)acetamide
CID 115459566
4-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-cyclopropylbutanamide
CID 115460101
2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-cyclopropylacetamide
CID 115458990
2-[4-(aminomethyl)triazol-1-yl]-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 115459604
2-[4-(aminomethyl)triazol-1-yl]-N-(2-methylcyclopentyl)acetamide
CID 115459863
2-[4-(aminomethyl)triazol-1-yl]-N-(propylcarbamoyl)acetamide
CID 55029749
2-[4-(aminomethyl)triazol-1-yl]-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide
CID 115459995
2-[4-(hydroxymethyl)triazol-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 62400544
2-[4-(aminomethyl)triazol-1-yl]-N-cycloheptylacetamide
CID 55029706
2-[4-(aminomethyl)triazol-1-yl]-N-(3-methylbut-2-enyl)acetamide
CID 106186838
2-[4-(aminomethyl)triazol-1-yl]-N-cyclooctylacetamide
CID 115458881

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-[2-(4-methylcyclohexyl)ethyl]acetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-[2-(4-methylcyclohexyl)ethyl]acetamide (CID 115459933) is 2-[4-(aminomethyl)triazol-1-yl]-N-[2-(4-methylcyclohexyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-[2-(4-methylcyclohexyl)ethyl]acetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-[2-(4-methylcyclohexyl)ethyl]acetamide is CC1CCC(CCNC(=O)Cn2cc(CN)nn2)CC1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-[2-(4-methylcyclohexyl)ethyl]acetamide?
The InChIKey is XEQYFVBDYDHELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-11-2-4-12(5-3-11)6-7-16-14(20)10-19-9-13(8-15)17-18-19/h9,11-12H,2-8,10,15H2,1H3,(H,16,20).
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-[2-(4-methylcyclohexyl)ethyl]acetamide?
2-[4-(aminomethyl)triazol-1-yl]-N-[2-(4-methylcyclohexyl)ethyl]acetamide has a molecular weight of 279.39 g/mol, XLogP of 1.07, 6 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-[2-(4-methylcyclohexyl)ethyl]acetamide is sourced from PubChem (CID 115459933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).