N-benzyl-2-[4-(hydroxymethyl)triazol-1-yl]acetamide

C12H14N4O2 — CID 62401095

IUPACN-benzyl-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
SMILESO=C(Cn1cc(CO)nn1)NCc1ccccc1
InChIInChI=1S/C12H14N4O2/c17-9-11-7-16(15-14-11)8-12(18)13-6-10-4-2-1-3-5-10/h1-5,7,17H,6,8-9H2,(H,13,18)
InChIKeyOHBPKJQZWMADQO-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.09
Rot. Bonds5

About N-benzyl-2-[4-(hydroxymethyl)triazol-1-yl]acetamide

N-benzyl-2-[4-(hydroxymethyl)triazol-1-yl]acetamide (PubChem CID 62401095) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-benzyl-2-[4-(hydroxymethyl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
PubChem CID62401095
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN-benzyl-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
SMILESO=C(Cn1cc(CO)nn1)NCc1ccccc1
InChIInChI=1S/C12H14N4O2/c17-9-11-7-16(15-14-11)8-12(18)13-6-10-4-2-1-3-5-10/h1-5,7,17H,6,8-9H2,(H,13,18)
InChIKeyOHBPKJQZWMADQO-UHFFFAOYSA-N
XLogP0.09
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(hydroxymethyl)triazol-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-(hydroxymethyl)triazol-1-yl]acetamide (CID 62401095) is N-benzyl-2-[4-(hydroxymethyl)triazol-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-(hydroxymethyl)triazol-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-(hydroxymethyl)triazol-1-yl]acetamide is O=C(Cn1cc(CO)nn1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[4-(hydroxymethyl)triazol-1-yl]acetamide?
The InChIKey is OHBPKJQZWMADQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c17-9-11-7-16(15-14-11)8-12(18)13-6-10-4-2-1-3-5-10/h1-5,7,17H,6,8-9H2,(H,13,18).
What are the key properties of N-benzyl-2-[4-(hydroxymethyl)triazol-1-yl]acetamide?
N-benzyl-2-[4-(hydroxymethyl)triazol-1-yl]acetamide has a molecular weight of 246.27 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(hydroxymethyl)triazol-1-yl]acetamide is sourced from PubChem (CID 62401095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).