2-(1-adamantyl)-N-(1H-1,2,4-triazol-5-yl)acetamide

C14H20N4O — CID 17285399

IUPAC2-(1-adamantyl)-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)Nc1ncn[nH]1
InChIInChI=1S/C14H20N4O/c19-12(17-13-15-8-16-18-13)7-14-4-9-1-10(5-14)3-11(2-9)6-14/h8-11H,1-7H2,(H2,15,16,17,18,19)
InChIKeyRFTNHQKQUYRZKZ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.35
Rot. Bonds3

About 2-(1-adamantyl)-N-(1H-1,2,4-triazol-5-yl)acetamide

2-(1-adamantyl)-N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 17285399) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID17285399
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-(1-adamantyl)-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)Nc1ncn[nH]1
InChIInChI=1S/C14H20N4O/c19-12(17-13-15-8-16-18-13)7-14-4-9-1-10(5-14)3-11(2-9)6-14/h8-11H,1-7H2,(H2,15,16,17,18,19)
InChIKeyRFTNHQKQUYRZKZ-UHFFFAOYSA-N
XLogP2.35
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-adamantylmethyl)-3-(1H-1,2,4-triazol-5-yl)urea
CID 108870431
2-(1-adamantyl)-N-pyridin-4-ylacetamide
CID 2971527
N-(1H-1,2,4-triazol-5-yl)butanamide
CID 5020131
2-(1-adamantyl)-N-(2,6-dihydroxyphenyl)acetamide
CID 139249629
2-(1-adamantyl)-N-(4-aminophenyl)acetamide
CID 79987888
2-(1-adamantyl)-N-(3,5-dichlorophenyl)acetamide
CID 3436472
1-(2-adamantyl)-3-(1H-1,2,4-triazol-5-yl)urea
CID 23582287
2-(1-adamantyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2874506
2-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1-adamantyl]-N-(1,3-thiazol-2-yl)acetamide
CID 3581376
2-(1-adamantyl)-N-(2-methyltetrazol-5-yl)acetamide
CID 5125853
2-(1-adamantyl)-N-(2,6-difluorophenyl)acetamide
CID 2741131
2-(1-adamantyl)-N-(3-methylsulfanylphenyl)acetamide
CID 7734007

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(1H-1,2,4-triazol-5-yl)acetamide (CID 17285399) is 2-(1-adamantyl)-N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(1H-1,2,4-triazol-5-yl)acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ncn[nH]1.
What is the InChIKey of 2-(1-adamantyl)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is RFTNHQKQUYRZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c19-12(17-13-15-8-16-18-13)7-14-4-9-1-10(5-14)3-11(2-9)6-14/h8-11H,1-7H2,(H2,15,16,17,18,19).
What are the key properties of 2-(1-adamantyl)-N-(1H-1,2,4-triazol-5-yl)acetamide?
2-(1-adamantyl)-N-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 260.34 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 17285399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).