2-(3-amino-1,2,4-triazol-1-yl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide

C9H17N5O2 — CID 79248179

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
SMILESCC(C)C(CO)NC(=O)Cn1cnc(N)n1
InChIInChI=1S/C9H17N5O2/c1-6(2)7(4-15)12-8(16)3-14-5-11-9(10)13-14/h5-7,15H,3-4H2,1-2H3,(H2,10,13)(H,12,16)
InChIKeyLMAQDPQQGOWEKW-UHFFFAOYSA-N
MW227.27 g/mol
LogP-1.01
Rot. Bonds5

About 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide (PubChem CID 79248179) has the molecular formula C9H17N5O2 and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
PubChem CID79248179
Molecular FormulaC9H17N5O2
Molecular Weight227.27 g/mol
Exact Mass227.14
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
SMILESCC(C)C(CO)NC(=O)Cn1cnc(N)n1
InChIInChI=1S/C9H17N5O2/c1-6(2)7(4-15)12-8(16)3-14-5-11-9(10)13-14/h5-7,15H,3-4H2,1-2H3,(H2,10,13)(H,12,16)
InChIKeyLMAQDPQQGOWEKW-UHFFFAOYSA-N
XLogP-1.01
TPSA106.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide (CID 79248179) is 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide is CC(C)C(CO)NC(=O)Cn1cnc(N)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide?
The InChIKey is LMAQDPQQGOWEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2/c1-6(2)7(4-15)12-8(16)3-14-5-11-9(10)13-14/h5-7,15H,3-4H2,1-2H3,(H2,10,13)(H,12,16).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide has a molecular weight of 227.27 g/mol, XLogP of -1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 79248179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).