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

C14H24N6 — CID 169210020

IUPAC5-[10-(1H-1,2,4-triazol-5-yl)decyl]-1H-1,2,4-triazole
SMILESc1n[nH]c(CCCCCCCCCCc2ncn[nH]2)n1
InChIInChI=1S/C14H24N6/c1(3-5-7-9-13-15-11-17-19-13)2-4-6-8-10-14-16-12-18-20-14/h11-12H,1-10H2,(H,15,17,19)(H,16,18,20)
InChIKeyDNHAZZWMXCBSBO-UHFFFAOYSA-N
MW276.39 g/mol
LogP2.83
Rot. Bonds11

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

5-[10-(1H-1,2,4-triazol-5-yl)decyl]-1H-1,2,4-triazole (PubChem CID 169210020) has the molecular formula C14H24N6 and a molecular weight of 276.39 g/mol. Its IUPAC name is 5-[10-(1H-1,2,4-triazol-5-yl)decyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[10-(1H-1,2,4-triazol-5-yl)decyl]-1H-1,2,4-triazole
PubChem CID169210020
Molecular FormulaC14H24N6
Molecular Weight276.39 g/mol
Exact Mass276.21
IUPAC Name5-[10-(1H-1,2,4-triazol-5-yl)decyl]-1H-1,2,4-triazole
SMILESc1n[nH]c(CCCCCCCCCCc2ncn[nH]2)n1
InChIInChI=1S/C14H24N6/c1(3-5-7-9-13-15-11-17-19-13)2-4-6-8-10-14-16-12-18-20-14/h11-12H,1-10H2,(H,15,17,19)(H,16,18,20)
InChIKeyDNHAZZWMXCBSBO-UHFFFAOYSA-N
XLogP2.83
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 52.83
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-heptadecyl-1H-1,2,4-triazole
CID 558137
5-[5-ethyl-10-(1H-1,2,4-triazol-5-yl)decyl]-1H-1,2,4-triazole
CID 169210026
5-(3-aminoiodanuidylpropyl)-1H-1,2,4-triazole
CID 140766762
5-(2-methoxyethyl)-1H-1,2,4-triazole
CID 58490953
5-methyl-3-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-1,2,4-triazole
CID 169210024
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
N-(3-methylsulfanylpropyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 64519754
3,4-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrrole-2,5-dione
CID 64531334
1-hydroxy-2-[3-(1H-1,2,4-triazol-5-yl)propyl]guanidine
CID 64524593
1-chloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]methanesulfonamide
CID 64523562
3-chloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide
CID 64530629

Frequently Asked Questions

What is the IUPAC name of 5-[10-(1H-1,2,4-triazol-5-yl)decyl]-1H-1,2,4-triazole?
The IUPAC name of 5-[10-(1H-1,2,4-triazol-5-yl)decyl]-1H-1,2,4-triazole (CID 169210020) is 5-[10-(1H-1,2,4-triazol-5-yl)decyl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-[10-(1H-1,2,4-triazol-5-yl)decyl]-1H-1,2,4-triazole?
The canonical SMILES for 5-[10-(1H-1,2,4-triazol-5-yl)decyl]-1H-1,2,4-triazole is c1n[nH]c(CCCCCCCCCCc2ncn[nH]2)n1.
What is the InChIKey of 5-[10-(1H-1,2,4-triazol-5-yl)decyl]-1H-1,2,4-triazole?
The InChIKey is DNHAZZWMXCBSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6/c1(3-5-7-9-13-15-11-17-19-13)2-4-6-8-10-14-16-12-18-20-14/h11-12H,1-10H2,(H,15,17,19)(H,16,18,20).
What are the key properties of 5-[10-(1H-1,2,4-triazol-5-yl)decyl]-1H-1,2,4-triazole?
5-[10-(1H-1,2,4-triazol-5-yl)decyl]-1H-1,2,4-triazole has a molecular weight of 276.39 g/mol, XLogP of 2.83, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[10-(1H-1,2,4-triazol-5-yl)decyl]-1H-1,2,4-triazole is sourced from PubChem (CID 169210020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).