N-hexyl-1H-1,2,4-triazol-5-amine

C8H16N4 — CID 152634287

IUPACN-hexyl-1H-1,2,4-triazol-5-amine
SMILESCCCCCCNc1ncn[nH]1
InChIInChI=1S/C8H16N4/c1-2-3-4-5-6-9-8-10-7-11-12-8/h7H,2-6H2,1H3,(H2,9,10,11,12)
InChIKeyZEEURQAQEYUCJS-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.80
Rot. Bonds6

About N-hexyl-1H-1,2,4-triazol-5-amine

N-hexyl-1H-1,2,4-triazol-5-amine (PubChem CID 152634287) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is N-hexyl-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound NameN-hexyl-1H-1,2,4-triazol-5-amine
PubChem CID152634287
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC NameN-hexyl-1H-1,2,4-triazol-5-amine
SMILESCCCCCCNc1ncn[nH]1
InChIInChI=1S/C8H16N4/c1-2-3-4-5-6-9-8-10-7-11-12-8/h7H,2-6H2,1H3,(H2,9,10,11,12)
InChIKeyZEEURQAQEYUCJS-UHFFFAOYSA-N
XLogP1.80
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.80
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-[(2S)-pyrrolidin-2-yl]-1H-1,2,4-triazol-5-amine
CID 145994375
1-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]butyl]-3-cyano-2-methylguanidine
CID 90667249
4-Amino-5-tetradecylamino-4H-1,2,4-triazol-1-ium chloride
CID 139049319
3-N-octyl-1H-1,2,4-triazole-3,5-diamine
CID 21858051
N-propyl-1H-1,2,4-triazol-5-amine;hydrochloride
CID 17934834
N-propyl-1H-1,2,4-triazol-5-amine
CID 17934835
3-(3-Aminopropylamino)-1,2,4-triazole
CID 20557813
N-propan-2-yl-1H-1,2,4-triazol-5-amine
CID 20738483
N-ethyl-1H-1,2,4-triazol-5-amine
CID 55284153
(3-Methyl-butyl)-(2H-[1,2,4]triazol-3-yl)-amine
CID 57910169
2-cyclohexyl-N-ethyl-1,2,4-triazol-3-amine
CID 58883308
1-cyclohexyl-N-ethyl-1,2,4-triazol-3-amine
CID 58883347

Frequently Asked Questions

What is the IUPAC name of N-hexyl-1H-1,2,4-triazol-5-amine?
The IUPAC name of N-hexyl-1H-1,2,4-triazol-5-amine (CID 152634287) is N-hexyl-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for N-hexyl-1H-1,2,4-triazol-5-amine?
The canonical SMILES for N-hexyl-1H-1,2,4-triazol-5-amine is CCCCCCNc1ncn[nH]1.
What is the InChIKey of N-hexyl-1H-1,2,4-triazol-5-amine?
The InChIKey is ZEEURQAQEYUCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-2-3-4-5-6-9-8-10-7-11-12-8/h7H,2-6H2,1H3,(H2,9,10,11,12).
What are the key properties of N-hexyl-1H-1,2,4-triazol-5-amine?
N-hexyl-1H-1,2,4-triazol-5-amine has a molecular weight of 168.24 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 152634287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).