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

C14H26N6O — CID 61138265

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-[3-[cyclohexyl(methyl)amino]propyl]acetamide
SMILESCN(CCCNC(=O)Cn1cnc(N)n1)C1CCCCC1
InChIInChI=1S/C14H26N6O/c1-19(12-6-3-2-4-7-12)9-5-8-16-13(21)10-20-11-17-14(15)18-20/h11-12H,2-10H2,1H3,(H2,15,18)(H,16,21)
InChIKeyHIPQARSPAAKGMI-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.63
Rot. Bonds7

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

2-(3-amino-1,2,4-triazol-1-yl)-N-[3-[cyclohexyl(methyl)amino]propyl]acetamide (PubChem CID 61138265) has the molecular formula C14H26N6O and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-[3-[cyclohexyl(methyl)amino]propyl]acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-[3-[cyclohexyl(methyl)amino]propyl]acetamide
PubChem CID61138265
Molecular FormulaC14H26N6O
Molecular Weight294.40 g/mol
Exact Mass294.22
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-[3-[cyclohexyl(methyl)amino]propyl]acetamide
SMILESCN(CCCNC(=O)Cn1cnc(N)n1)C1CCCCC1
InChIInChI=1S/C14H26N6O/c1-19(12-6-3-2-4-7-12)9-5-8-16-13(21)10-20-11-17-14(15)18-20/h11-12H,2-10H2,1H3,(H2,15,18)(H,16,21)
InChIKeyHIPQARSPAAKGMI-UHFFFAOYSA-N
XLogP0.63
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.63
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-[cyclohexyl(methyl)amino]propyl]acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-[3-[cyclohexyl(methyl)amino]propyl]acetamide (CID 61138265) is 2-(3-amino-1,2,4-triazol-1-yl)-N-[3-[cyclohexyl(methyl)amino]propyl]acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-[3-[cyclohexyl(methyl)amino]propyl]acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-[3-[cyclohexyl(methyl)amino]propyl]acetamide is CN(CCCNC(=O)Cn1cnc(N)n1)C1CCCCC1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-[3-[cyclohexyl(methyl)amino]propyl]acetamide?
The InChIKey is HIPQARSPAAKGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O/c1-19(12-6-3-2-4-7-12)9-5-8-16-13(21)10-20-11-17-14(15)18-20/h11-12H,2-10H2,1H3,(H2,15,18)(H,16,21).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-[3-[cyclohexyl(methyl)amino]propyl]acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-[3-[cyclohexyl(methyl)amino]propyl]acetamide has a molecular weight of 294.40 g/mol, XLogP of 0.63, 7 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-[cyclohexyl(methyl)amino]propyl]acetamide is sourced from PubChem (CID 61138265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).