2-(3-amino-1,2,4-triazol-1-yl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide

C12H22N6O — CID 107162871

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide
SMILESCN1CCC(C)(CNC(=O)Cn2cnc(N)n2)CC1
InChIInChI=1S/C12H22N6O/c1-12(3-5-17(2)6-4-12)8-14-10(19)7-18-9-15-11(13)16-18/h9H,3-8H2,1-2H3,(H2,13,16)(H,14,19)
InChIKeyNGKICJDZUQYIDD-UHFFFAOYSA-N
MW266.35 g/mol
LogP-0.29
Rot. Bonds4

About 2-(3-amino-1,2,4-triazol-1-yl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide (PubChem CID 107162871) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide
PubChem CID107162871
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide
SMILESCN1CCC(C)(CNC(=O)Cn2cnc(N)n2)CC1
InChIInChI=1S/C12H22N6O/c1-12(3-5-17(2)6-4-12)8-14-10(19)7-18-9-15-11(13)16-18/h9H,3-8H2,1-2H3,(H2,13,16)(H,14,19)
InChIKeyNGKICJDZUQYIDD-UHFFFAOYSA-N
XLogP-0.29
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide (CID 107162871) is 2-(3-amino-1,2,4-triazol-1-yl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide is CN1CCC(C)(CNC(=O)Cn2cnc(N)n2)CC1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide?
The InChIKey is NGKICJDZUQYIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-12(3-5-17(2)6-4-12)8-14-10(19)7-18-9-15-11(13)16-18/h9H,3-8H2,1-2H3,(H2,13,16)(H,14,19).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide has a molecular weight of 266.35 g/mol, XLogP of -0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide is sourced from PubChem (CID 107162871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).