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

C10H19N5O — CID 115459566

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-(2,2-dimethylpropyl)acetamide
SMILESCC(C)(C)CNC(=O)Cn1cc(CN)nn1
InChIInChI=1S/C10H19N5O/c1-10(2,3)7-12-9(16)6-15-5-8(4-11)13-14-15/h5H,4,6-7,11H2,1-3H3,(H,12,16)
InChIKeyFDSPDYBRTVXQNY-UHFFFAOYSA-N
MW225.30 g/mol
LogP-0.10
Rot. Bonds4

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

2-[4-(aminomethyl)triazol-1-yl]-N-(2,2-dimethylpropyl)acetamide (PubChem CID 115459566) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-(2,2-dimethylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-(2,2-dimethylpropyl)acetamide
PubChem CID115459566
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-(2,2-dimethylpropyl)acetamide
SMILESCC(C)(C)CNC(=O)Cn1cc(CN)nn1
InChIInChI=1S/C10H19N5O/c1-10(2,3)7-12-9(16)6-15-5-8(4-11)13-14-15/h5H,4,6-7,11H2,1-3H3,(H,12,16)
InChIKeyFDSPDYBRTVXQNY-UHFFFAOYSA-N
XLogP-0.10
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N,2,2-trimethylpropanamide
CID 106276726
2-[4-(aminomethyl)triazol-1-yl]-N-(3-methylbut-2-enyl)acetamide
CID 106186838
2-[4-(aminomethyl)triazol-1-yl]-N-(ethylcarbamoyl)acetamide
CID 62054135
2-[4-(aminomethyl)triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 62053793
4-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-4-methylpentanoic acid
CID 115459751
2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 66191701
2-[4-(aminomethyl)triazol-1-yl]-N-[2-(4-methylcyclohexyl)ethyl]acetamide
CID 115459933
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
3-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-2-methoxypropanoic acid
CID 106109016
2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(2-methylbutan-2-yl)acetamide
CID 113314194
methyl (2S)-2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]propanoate
CID 115459166

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(2,2-dimethylpropyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(2,2-dimethylpropyl)acetamide (CID 115459566) is 2-[4-(aminomethyl)triazol-1-yl]-N-(2,2-dimethylpropyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-(2,2-dimethylpropyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-(2,2-dimethylpropyl)acetamide is CC(C)(C)CNC(=O)Cn1cc(CN)nn1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-(2,2-dimethylpropyl)acetamide?
The InChIKey is FDSPDYBRTVXQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-10(2,3)7-12-9(16)6-15-5-8(4-11)13-14-15/h5H,4,6-7,11H2,1-3H3,(H,12,16).
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-(2,2-dimethylpropyl)acetamide?
2-[4-(aminomethyl)triazol-1-yl]-N-(2,2-dimethylpropyl)acetamide has a molecular weight of 225.30 g/mol, XLogP of -0.10, 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-(2,2-dimethylpropyl)acetamide is sourced from PubChem (CID 115459566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).