2-(3-amino-1,2,4-triazol-1-yl)-N-[3-(diethylamino)propyl]acetamide

C11H22N6O — CID 54901751

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-[3-(diethylamino)propyl]acetamide
SMILESCCN(CC)CCCNC(=O)Cn1cnc(N)n1
InChIInChI=1S/C11H22N6O/c1-3-16(4-2)7-5-6-13-10(18)8-17-9-14-11(12)15-17/h9H,3-8H2,1-2H3,(H2,12,15)(H,13,18)
InChIKeyNJZJKIJEQDRKSE-UHFFFAOYSA-N
MW254.34 g/mol
LogP-0.29
Rot. Bonds8

About 2-(3-amino-1,2,4-triazol-1-yl)-N-[3-(diethylamino)propyl]acetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-[3-(diethylamino)propyl]acetamide (PubChem CID 54901751) has the molecular formula C11H22N6O and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-[3-(diethylamino)propyl]acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-[3-(diethylamino)propyl]acetamide
PubChem CID54901751
Molecular FormulaC11H22N6O
Molecular Weight254.34 g/mol
Exact Mass254.19
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-[3-(diethylamino)propyl]acetamide
SMILESCCN(CC)CCCNC(=O)Cn1cnc(N)n1
InChIInChI=1S/C11H22N6O/c1-3-16(4-2)7-5-6-13-10(18)8-17-9-14-11(12)15-17/h9H,3-8H2,1-2H3,(H2,12,15)(H,13,18)
InChIKeyNJZJKIJEQDRKSE-UHFFFAOYSA-N
XLogP-0.29
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-[3-(diethylamino)propyl]acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-[3-(diethylamino)propyl]acetamide (CID 54901751) is 2-(3-amino-1,2,4-triazol-1-yl)-N-[3-(diethylamino)propyl]acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-[3-(diethylamino)propyl]acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-[3-(diethylamino)propyl]acetamide is CCN(CC)CCCNC(=O)Cn1cnc(N)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-[3-(diethylamino)propyl]acetamide?
The InChIKey is NJZJKIJEQDRKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6O/c1-3-16(4-2)7-5-6-13-10(18)8-17-9-14-11(12)15-17/h9H,3-8H2,1-2H3,(H2,12,15)(H,13,18).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-[3-(diethylamino)propyl]acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-[3-(diethylamino)propyl]acetamide has a molecular weight of 254.34 g/mol, XLogP of -0.29, 8 rotatable bonds, 2 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-[3-(diethylamino)propyl]acetamide is sourced from PubChem (CID 54901751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).