2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-phenylacetamide

C13H17N5O — CID 62055304

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)Cn1cc(CN)nn1)c1ccccc1
InChIInChI=1S/C13H17N5O/c1-2-18(12-6-4-3-5-7-12)13(19)10-17-9-11(8-14)15-16-17/h3-7,9H,2,8,10,14H2,1H3
InChIKeySMDOMQYLUBJWKT-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.79
Rot. Bonds5

About 2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-phenylacetamide

2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-phenylacetamide (PubChem CID 62055304) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-phenylacetamide
PubChem CID62055304
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)Cn1cc(CN)nn1)c1ccccc1
InChIInChI=1S/C13H17N5O/c1-2-18(12-6-4-3-5-7-12)13(19)10-17-9-11(8-14)15-16-17/h3-7,9H,2,8,10,14H2,1H3
InChIKeySMDOMQYLUBJWKT-UHFFFAOYSA-N
XLogP0.79
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-phenylacetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-phenylacetamide (CID 62055304) is 2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-phenylacetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-phenylacetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-phenylacetamide is CCN(C(=O)Cn1cc(CN)nn1)c1ccccc1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-phenylacetamide?
The InChIKey is SMDOMQYLUBJWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-2-18(12-6-4-3-5-7-12)13(19)10-17-9-11(8-14)15-16-17/h3-7,9H,2,8,10,14H2,1H3.
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-phenylacetamide?
2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-phenylacetamide has a molecular weight of 259.31 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-phenylacetamide is sourced from PubChem (CID 62055304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).