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

C10H20N4 — CID 64547937

IUPACN-[2-(1H-1,2,4-triazol-5-yl)ethyl]hexan-1-amine
SMILESCCCCCCNCCc1ncn[nH]1
InChIInChI=1S/C10H20N4/c1-2-3-4-5-7-11-8-6-10-12-9-13-14-10/h9,11H,2-8H2,1H3,(H,12,13,14)
InChIKeyYGPAOFHRZIRFJY-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.52
Rot. Bonds8

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

N-[2-(1H-1,2,4-triazol-5-yl)ethyl]hexan-1-amine (PubChem CID 64547937) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is N-[2-(1H-1,2,4-triazol-5-yl)ethyl]hexan-1-amine.

Molecular Properties

Compound NameN-[2-(1H-1,2,4-triazol-5-yl)ethyl]hexan-1-amine
PubChem CID64547937
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC NameN-[2-(1H-1,2,4-triazol-5-yl)ethyl]hexan-1-amine
SMILESCCCCCCNCCc1ncn[nH]1
InChIInChI=1S/C10H20N4/c1-2-3-4-5-7-11-8-6-10-12-9-13-14-10/h9,11H,2-8H2,1H3,(H,12,13,14)
InChIKeyYGPAOFHRZIRFJY-UHFFFAOYSA-N
XLogP1.52
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.52
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

N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine;dihydrochloride
CID 154878724
5-heptadecyl-1H-1,2,4-triazole
CID 558137
N-(1H-1,2,4-triazol-5-ylmethyl)butan-1-amine
CID 60978735
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]dodecanamide
CID 65426736
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]heptan-2-amine
CID 64546765
N-[(4-pentoxyphenyl)methyl]-2-(1H-1,2,4-triazol-5-yl)ethanamine
CID 64547531
3-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine
CID 64548497
5-[10-(1H-1,2,4-triazol-5-yl)decyl]-1H-1,2,4-triazole
CID 169210020
2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 64546169
3-(propylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propane-1-sulfonamide
CID 106068101
2-methyl-2-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]butan-1-ol
CID 81419956
N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]hexan-1-amine
CID 82336896

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-1,2,4-triazol-5-yl)ethyl]hexan-1-amine?
The IUPAC name of N-[2-(1H-1,2,4-triazol-5-yl)ethyl]hexan-1-amine (CID 64547937) is N-[2-(1H-1,2,4-triazol-5-yl)ethyl]hexan-1-amine.
What is the SMILES notation for N-[2-(1H-1,2,4-triazol-5-yl)ethyl]hexan-1-amine?
The canonical SMILES for N-[2-(1H-1,2,4-triazol-5-yl)ethyl]hexan-1-amine is CCCCCCNCCc1ncn[nH]1.
What is the InChIKey of N-[2-(1H-1,2,4-triazol-5-yl)ethyl]hexan-1-amine?
The InChIKey is YGPAOFHRZIRFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-2-3-4-5-7-11-8-6-10-12-9-13-14-10/h9,11H,2-8H2,1H3,(H,12,13,14).
What are the key properties of N-[2-(1H-1,2,4-triazol-5-yl)ethyl]hexan-1-amine?
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]hexan-1-amine has a molecular weight of 196.30 g/mol, XLogP of 1.52, 8 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]hexan-1-amine is sourced from PubChem (CID 64547937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).