N-[2-(1H-1,2,4-triazol-5-yl)ethyl]dodecanamide

C16H30N4O — CID 65426736

IUPACN-[2-(1H-1,2,4-triazol-5-yl)ethyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NCCc1ncn[nH]1
InChIInChI=1S/C16H30N4O/c1-2-3-4-5-6-7-8-9-10-11-16(21)17-13-12-15-18-14-19-20-15/h14H,2-13H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyJSTRSMASCFITES-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.38
Rot. Bonds13

About N-[2-(1H-1,2,4-triazol-5-yl)ethyl]dodecanamide

N-[2-(1H-1,2,4-triazol-5-yl)ethyl]dodecanamide (PubChem CID 65426736) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[2-(1H-1,2,4-triazol-5-yl)ethyl]dodecanamide.

Molecular Properties

Compound NameN-[2-(1H-1,2,4-triazol-5-yl)ethyl]dodecanamide
PubChem CID65426736
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC NameN-[2-(1H-1,2,4-triazol-5-yl)ethyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NCCc1ncn[nH]1
InChIInChI=1S/C16H30N4O/c1-2-3-4-5-6-7-8-9-10-11-16(21)17-13-12-15-18-14-19-20-15/h14H,2-13H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyJSTRSMASCFITES-UHFFFAOYSA-N
XLogP3.38
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-acetamido-N-[3-(1H-1,2,4-triazol-5-yl)propyl]hexanamide
CID 64547268
3-methylsulfonyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 64548213
4-phenoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 64546403
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]hexan-1-amine
CID 64547937
4-methoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide
CID 79001382
3-chloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide
CID 64530629
5-heptadecyl-1H-1,2,4-triazole
CID 558137
4-hydroxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide
CID 79192690
3-(2-hydroxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 64531621
2-amino-N-[2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]ethyl]acetamide
CID 64532139
3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 64546220
1,1-dimethyl-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 79153968

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-1,2,4-triazol-5-yl)ethyl]dodecanamide?
The IUPAC name of N-[2-(1H-1,2,4-triazol-5-yl)ethyl]dodecanamide (CID 65426736) is N-[2-(1H-1,2,4-triazol-5-yl)ethyl]dodecanamide.
What is the SMILES notation for N-[2-(1H-1,2,4-triazol-5-yl)ethyl]dodecanamide?
The canonical SMILES for N-[2-(1H-1,2,4-triazol-5-yl)ethyl]dodecanamide is CCCCCCCCCCCC(=O)NCCc1ncn[nH]1.
What is the InChIKey of N-[2-(1H-1,2,4-triazol-5-yl)ethyl]dodecanamide?
The InChIKey is JSTRSMASCFITES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-2-3-4-5-6-7-8-9-10-11-16(21)17-13-12-15-18-14-19-20-15/h14H,2-13H2,1H3,(H,17,21)(H,18,19,20).
What are the key properties of N-[2-(1H-1,2,4-triazol-5-yl)ethyl]dodecanamide?
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]dodecanamide has a molecular weight of 294.44 g/mol, XLogP of 3.38, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-1,2,4-triazol-5-yl)ethyl]dodecanamide is sourced from PubChem (CID 65426736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).