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

C12H21N5O — CID 115459722

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-(1-methylcyclohexyl)acetamide
SMILESCC1(NC(=O)Cn2cc(CN)nn2)CCCCC1
InChIInChI=1S/C12H21N5O/c1-12(5-3-2-4-6-12)14-11(18)9-17-8-10(7-13)15-16-17/h8H,2-7,9,13H2,1H3,(H,14,18)
InChIKeySVPOVOPOGNRHGR-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.58
Rot. Bonds4

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

2-[4-(aminomethyl)triazol-1-yl]-N-(1-methylcyclohexyl)acetamide (PubChem CID 115459722) 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-(1-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-(1-methylcyclohexyl)acetamide
PubChem CID115459722
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-(1-methylcyclohexyl)acetamide
SMILESCC1(NC(=O)Cn2cc(CN)nn2)CCCCC1
InChIInChI=1S/C12H21N5O/c1-12(5-3-2-4-6-12)14-11(18)9-17-8-10(7-13)15-16-17/h8H,2-7,9,13H2,1H3,(H,14,18)
InChIKeySVPOVOPOGNRHGR-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

1-[[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115460265
2-[4-(aminomethyl)triazol-1-yl]-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide
CID 115459995
2-[4-(aminomethyl)triazol-1-yl]-N-cycloheptylacetamide
CID 55029706
2-[4-(aminomethyl)triazol-1-yl]-N-cyclooctylacetamide
CID 115458881
2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methylcyclopentyl)acetamide
CID 61364956
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-1-methylcyclopentan-1-amine
CID 115460313
2-[4-(1-aminoethyl)triazol-1-yl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 114419500
methyl (2S)-2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]propanoate
CID 115459166
2-[4-(aminomethyl)triazol-1-yl]-N-(2-methylcyclopentyl)acetamide
CID 115459863
2-[4-(aminomethyl)triazol-1-yl]-N-(2,2-dimethylpropyl)acetamide
CID 115459566
2-[4-(aminomethyl)triazol-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 62054464
2-[4-(aminomethyl)triazol-1-yl]-N-(ethylcarbamoyl)acetamide
CID 62054135

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(1-methylcyclohexyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(1-methylcyclohexyl)acetamide (CID 115459722) is 2-[4-(aminomethyl)triazol-1-yl]-N-(1-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-(1-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-(1-methylcyclohexyl)acetamide is CC1(NC(=O)Cn2cc(CN)nn2)CCCCC1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-(1-methylcyclohexyl)acetamide?
The InChIKey is SVPOVOPOGNRHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-12(5-3-2-4-6-12)14-11(18)9-17-8-10(7-13)15-16-17/h8H,2-7,9,13H2,1H3,(H,14,18).
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-(1-methylcyclohexyl)acetamide?
2-[4-(aminomethyl)triazol-1-yl]-N-(1-methylcyclohexyl)acetamide 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-(1-methylcyclohexyl)acetamide is sourced from PubChem (CID 115459722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).