5-[5-ethyl-10-(1H-1,2,4-triazol-5-yl)decyl]-1H-1,2,4-triazole

C16H28N6 — CID 169210026

IUPAC5-[5-ethyl-10-(1H-1,2,4-triazol-5-yl)decyl]-1H-1,2,4-triazole
SMILESCCC(CCCCCc1ncn[nH]1)CCCCc1ncn[nH]1
InChIInChI=1S/C16H28N6/c1-2-14(9-6-7-11-16-18-13-20-22-16)8-4-3-5-10-15-17-12-19-21-15/h12-14H,2-11H2,1H3,(H,17,19,21)(H,18,20,22)
InChIKeyUCBGLAVQKDEANS-UHFFFAOYSA-N
MW304.44 g/mol
LogP3.46
Rot. Bonds12

About 5-[5-ethyl-10-(1H-1,2,4-triazol-5-yl)decyl]-1H-1,2,4-triazole

5-[5-ethyl-10-(1H-1,2,4-triazol-5-yl)decyl]-1H-1,2,4-triazole (PubChem CID 169210026) has the molecular formula C16H28N6 and a molecular weight of 304.44 g/mol. Its IUPAC name is 5-[5-ethyl-10-(1H-1,2,4-triazol-5-yl)decyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[5-ethyl-10-(1H-1,2,4-triazol-5-yl)decyl]-1H-1,2,4-triazole
PubChem CID169210026
Molecular FormulaC16H28N6
Molecular Weight304.44 g/mol
Exact Mass304.24
IUPAC Name5-[5-ethyl-10-(1H-1,2,4-triazol-5-yl)decyl]-1H-1,2,4-triazole
SMILESCCC(CCCCCc1ncn[nH]1)CCCCc1ncn[nH]1
InChIInChI=1S/C16H28N6/c1-2-14(9-6-7-11-16-18-13-20-22-16)8-4-3-5-10-15-17-12-19-21-15/h12-14H,2-11H2,1H3,(H,17,19,21)(H,18,20,22)
InChIKeyUCBGLAVQKDEANS-UHFFFAOYSA-N
XLogP3.46
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[10-(1H-1,2,4-triazol-5-yl)decyl]-1H-1,2,4-triazole
CID 169210020
5-heptadecyl-1H-1,2,4-triazole
CID 558137
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]heptan-2-amine
CID 64546765
1-(1H-1,2,4-triazol-5-yl)heptadec-3-en-5-amine
CID 129069584
2-methyl-6-(1H-1,2,4-triazol-5-yl)hexan-3-one
CID 159797633
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]hexan-1-amine
CID 64547937
(2S,3S)-2-amino-3-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide
CID 64532327
5-(2-methoxyethyl)-1H-1,2,4-triazole
CID 58490953
2-ethyl-2-[[3-(1H-1,2,4-triazol-5-yl)propylamino]methyl]butan-1-ol
CID 81419852
N-[(2R)-2-ethylhexyl]-1H-1,2,4-triazole-5-carboxamide
CID 2174349
5-methyl-3-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-1,2,4-triazole
CID 169210024
4-hydroxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide
CID 79192690

Frequently Asked Questions

What is the IUPAC name of 5-[5-ethyl-10-(1H-1,2,4-triazol-5-yl)decyl]-1H-1,2,4-triazole?
The IUPAC name of 5-[5-ethyl-10-(1H-1,2,4-triazol-5-yl)decyl]-1H-1,2,4-triazole (CID 169210026) is 5-[5-ethyl-10-(1H-1,2,4-triazol-5-yl)decyl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-[5-ethyl-10-(1H-1,2,4-triazol-5-yl)decyl]-1H-1,2,4-triazole?
The canonical SMILES for 5-[5-ethyl-10-(1H-1,2,4-triazol-5-yl)decyl]-1H-1,2,4-triazole is CCC(CCCCCc1ncn[nH]1)CCCCc1ncn[nH]1.
What is the InChIKey of 5-[5-ethyl-10-(1H-1,2,4-triazol-5-yl)decyl]-1H-1,2,4-triazole?
The InChIKey is UCBGLAVQKDEANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6/c1-2-14(9-6-7-11-16-18-13-20-22-16)8-4-3-5-10-15-17-12-19-21-15/h12-14H,2-11H2,1H3,(H,17,19,21)(H,18,20,22).
What are the key properties of 5-[5-ethyl-10-(1H-1,2,4-triazol-5-yl)decyl]-1H-1,2,4-triazole?
5-[5-ethyl-10-(1H-1,2,4-triazol-5-yl)decyl]-1H-1,2,4-triazole has a molecular weight of 304.44 g/mol, XLogP of 3.46, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-ethyl-10-(1H-1,2,4-triazol-5-yl)decyl]-1H-1,2,4-triazole is sourced from PubChem (CID 169210026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).