2-(2-bicyclo[2.2.1]heptanyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

C12H18N4O — CID 54883246

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESO=C(CC1CC2CCC1C2)NCc1ncn[nH]1
InChIInChI=1S/C12H18N4O/c17-12(13-6-11-14-7-15-16-11)5-10-4-8-1-2-9(10)3-8/h7-10H,1-6H2,(H,13,17)(H,14,15,16)
InChIKeyKFURJHSIXKLUTM-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.25
Rot. Bonds4

About 2-(2-bicyclo[2.2.1]heptanyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (PubChem CID 54883246) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
PubChem CID54883246
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESO=C(CC1CC2CCC1C2)NCc1ncn[nH]1
InChIInChI=1S/C12H18N4O/c17-12(13-6-11-14-7-15-16-11)5-10-4-8-1-2-9(10)3-8/h7-10H,1-6H2,(H,13,17)(H,14,15,16)
InChIKeyKFURJHSIXKLUTM-UHFFFAOYSA-N
XLogP1.25
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (CID 54883246) is 2-(2-bicyclo[2.2.1]heptanyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is O=C(CC1CC2CCC1C2)NCc1ncn[nH]1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The InChIKey is KFURJHSIXKLUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c17-12(13-6-11-14-7-15-16-11)5-10-4-8-1-2-9(10)3-8/h7-10H,1-6H2,(H,13,17)(H,14,15,16).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide has a molecular weight of 234.30 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is sourced from PubChem (CID 54883246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).