2-[4-(aminomethyl)triazol-1-yl]-N-(2-hydroxyethyl)acetamide

C7H13N5O2 — CID 115458959

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-(2-hydroxyethyl)acetamide
SMILESNCc1cn(CC(=O)NCCO)nn1
InChIInChI=1S/C7H13N5O2/c8-3-6-4-12(11-10-6)5-7(14)9-1-2-13/h4,13H,1-3,5,8H2,(H,9,14)
InChIKeyFTPAIPUBWAOSFS-UHFFFAOYSA-N
MW199.21 g/mol
LogP-2.15
Rot. Bonds5

About 2-[4-(aminomethyl)triazol-1-yl]-N-(2-hydroxyethyl)acetamide

2-[4-(aminomethyl)triazol-1-yl]-N-(2-hydroxyethyl)acetamide (PubChem CID 115458959) has the molecular formula C7H13N5O2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-(2-hydroxyethyl)acetamide
PubChem CID115458959
Molecular FormulaC7H13N5O2
Molecular Weight199.21 g/mol
Exact Mass199.11
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-(2-hydroxyethyl)acetamide
SMILESNCc1cn(CC(=O)NCCO)nn1
InChIInChI=1S/C7H13N5O2/c8-3-6-4-12(11-10-6)5-7(14)9-1-2-13/h4,13H,1-3,5,8H2,(H,9,14)
InChIKeyFTPAIPUBWAOSFS-UHFFFAOYSA-N
XLogP-2.15
TPSA106.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-2.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(2-hydroxyethyl)acetamide (CID 115458959) is 2-[4-(aminomethyl)triazol-1-yl]-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-(2-hydroxyethyl)acetamide is NCc1cn(CC(=O)NCCO)nn1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-(2-hydroxyethyl)acetamide?
The InChIKey is FTPAIPUBWAOSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O2/c8-3-6-4-12(11-10-6)5-7(14)9-1-2-13/h4,13H,1-3,5,8H2,(H,9,14).
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-(2-hydroxyethyl)acetamide?
2-[4-(aminomethyl)triazol-1-yl]-N-(2-hydroxyethyl)acetamide has a molecular weight of 199.21 g/mol, XLogP of -2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 115458959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).