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

C10H19N5O2 — CID 61242021

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
SMILESCC(C)CC(CO)NC(=O)Cn1cnc(N)n1
InChIInChI=1S/C10H19N5O2/c1-7(2)3-8(5-16)13-9(17)4-15-6-12-10(11)14-15/h6-8,16H,3-5H2,1-2H3,(H2,11,14)(H,13,17)
InChIKeyJTVSJJCQPWTCHM-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.62
Rot. Bonds6

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

2-(3-amino-1,2,4-triazol-1-yl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide (PubChem CID 61242021) has the molecular formula C10H19N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
PubChem CID61242021
Molecular FormulaC10H19N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
SMILESCC(C)CC(CO)NC(=O)Cn1cnc(N)n1
InChIInChI=1S/C10H19N5O2/c1-7(2)3-8(5-16)13-9(17)4-15-6-12-10(11)14-15/h6-8,16H,3-5H2,1-2H3,(H2,11,14)(H,13,17)
InChIKeyJTVSJJCQPWTCHM-UHFFFAOYSA-N
XLogP-0.62
TPSA106.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.62
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-4-methylpentan-2-yl)acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide (CID 61242021) is 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide is CC(C)CC(CO)NC(=O)Cn1cnc(N)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide?
The InChIKey is JTVSJJCQPWTCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-7(2)3-8(5-16)13-9(17)4-15-6-12-10(11)14-15/h6-8,16H,3-5H2,1-2H3,(H2,11,14)(H,13,17).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide has a molecular weight of 241.29 g/mol, XLogP of -0.62, 6 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-4-methylpentan-2-yl)acetamide is sourced from PubChem (CID 61242021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).