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

C9H17N7O — CID 83012962

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(NC(=O)Cn2cnc(N)n2)CC1
InChIInChI=1S/C9H17N7O/c1-14-2-4-15(5-3-14)12-8(17)6-16-7-11-9(10)13-16/h7H,2-6H2,1H3,(H2,10,13)(H,12,17)
InChIKeyUJEQQMHTPSVIGQ-UHFFFAOYSA-N
MW239.28 g/mol
LogP-1.86
Rot. Bonds3

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

2-(3-amino-1,2,4-triazol-1-yl)-N-(4-methylpiperazin-1-yl)acetamide (PubChem CID 83012962) has the molecular formula C9H17N7O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-(4-methylpiperazin-1-yl)acetamide
PubChem CID83012962
Molecular FormulaC9H17N7O
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(NC(=O)Cn2cnc(N)n2)CC1
InChIInChI=1S/C9H17N7O/c1-14-2-4-15(5-3-14)12-8(17)6-16-7-11-9(10)13-16/h7H,2-6H2,1H3,(H2,10,13)(H,12,17)
InChIKeyUJEQQMHTPSVIGQ-UHFFFAOYSA-N
XLogP-1.86
TPSA92.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-1.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(4-methylpiperazin-1-yl)acetamide (CID 83012962) is 2-(3-amino-1,2,4-triazol-1-yl)-N-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-(4-methylpiperazin-1-yl)acetamide is CN1CCN(NC(=O)Cn2cnc(N)n2)CC1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is UJEQQMHTPSVIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N7O/c1-14-2-4-15(5-3-14)12-8(17)6-16-7-11-9(10)13-16/h7H,2-6H2,1H3,(H2,10,13)(H,12,17).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-(4-methylpiperazin-1-yl)acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 239.28 g/mol, XLogP of -1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 83012962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).