2-(4-aminotriazol-2-yl)-N-(2-hydroxyethyl)-N-methylacetamide

C7H13N5O2 — CID 112531431

IUPAC2-(4-aminotriazol-2-yl)-N-(2-hydroxyethyl)-N-methylacetamide
SMILESCN(CCO)C(=O)Cn1ncc(N)n1
InChIInChI=1S/C7H13N5O2/c1-11(2-3-13)7(14)5-12-9-4-6(8)10-12/h4,13H,2-3,5H2,1H3,(H2,8,10)
InChIKeyCLABLLDNZPAHSH-UHFFFAOYSA-N
MW199.21 g/mol
LogP-1.69
Rot. Bonds4

About 2-(4-aminotriazol-2-yl)-N-(2-hydroxyethyl)-N-methylacetamide

2-(4-aminotriazol-2-yl)-N-(2-hydroxyethyl)-N-methylacetamide (PubChem CID 112531431) has the molecular formula C7H13N5O2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-(4-aminotriazol-2-yl)-N-(2-hydroxyethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-aminotriazol-2-yl)-N-(2-hydroxyethyl)-N-methylacetamide
PubChem CID112531431
Molecular FormulaC7H13N5O2
Molecular Weight199.21 g/mol
Exact Mass199.11
IUPAC Name2-(4-aminotriazol-2-yl)-N-(2-hydroxyethyl)-N-methylacetamide
SMILESCN(CCO)C(=O)Cn1ncc(N)n1
InChIInChI=1S/C7H13N5O2/c1-11(2-3-13)7(14)5-12-9-4-6(8)10-12/h4,13H,2-3,5H2,1H3,(H2,8,10)
InChIKeyCLABLLDNZPAHSH-UHFFFAOYSA-N
XLogP-1.69
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-1.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminotriazol-2-yl)-N-(2-hydroxyethyl)-N-methylacetamide?
The IUPAC name of 2-(4-aminotriazol-2-yl)-N-(2-hydroxyethyl)-N-methylacetamide (CID 112531431) is 2-(4-aminotriazol-2-yl)-N-(2-hydroxyethyl)-N-methylacetamide.
What is the SMILES notation for 2-(4-aminotriazol-2-yl)-N-(2-hydroxyethyl)-N-methylacetamide?
The canonical SMILES for 2-(4-aminotriazol-2-yl)-N-(2-hydroxyethyl)-N-methylacetamide is CN(CCO)C(=O)Cn1ncc(N)n1.
What is the InChIKey of 2-(4-aminotriazol-2-yl)-N-(2-hydroxyethyl)-N-methylacetamide?
The InChIKey is CLABLLDNZPAHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O2/c1-11(2-3-13)7(14)5-12-9-4-6(8)10-12/h4,13H,2-3,5H2,1H3,(H2,8,10).
What are the key properties of 2-(4-aminotriazol-2-yl)-N-(2-hydroxyethyl)-N-methylacetamide?
2-(4-aminotriazol-2-yl)-N-(2-hydroxyethyl)-N-methylacetamide has a molecular weight of 199.21 g/mol, XLogP of -1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminotriazol-2-yl)-N-(2-hydroxyethyl)-N-methylacetamide is sourced from PubChem (CID 112531431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).