N-hexan-3-yl-1H-1,2,4-triazol-5-amine

C8H16N4 — CID 138502587

IUPACN-hexan-3-yl-1H-1,2,4-triazol-5-amine
SMILESCCCC(CC)Nc1ncn[nH]1
InChIInChI=1S/C8H16N4/c1-3-5-7(4-2)11-8-9-6-10-12-8/h6-7H,3-5H2,1-2H3,(H2,9,10,11,12)
InChIKeySJPHWYYIMSUNOZ-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.80
Rot. Bonds5

About N-hexan-3-yl-1H-1,2,4-triazol-5-amine

N-hexan-3-yl-1H-1,2,4-triazol-5-amine (PubChem CID 138502587) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is N-hexan-3-yl-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound NameN-hexan-3-yl-1H-1,2,4-triazol-5-amine
PubChem CID138502587
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC NameN-hexan-3-yl-1H-1,2,4-triazol-5-amine
SMILESCCCC(CC)Nc1ncn[nH]1
InChIInChI=1S/C8H16N4/c1-3-5-7(4-2)11-8-9-6-10-12-8/h6-7H,3-5H2,1-2H3,(H2,9,10,11,12)
InChIKeySJPHWYYIMSUNOZ-UHFFFAOYSA-N
XLogP1.80
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

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
1-cyclohexyl-3-(1H-1,2,4-triazol-5-yl)thiourea
CID 3500979
N3-Cyclohexyl-1H-1,2,4-triazole-3,5-diamine
CID 14547512
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
N-methyl-2-propan-2-yl-1H-1,2,4-triazole-2,4-diium-4-amine
CID 57641366
(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

Frequently Asked Questions

What is the IUPAC name of N-hexan-3-yl-1H-1,2,4-triazol-5-amine?
The IUPAC name of N-hexan-3-yl-1H-1,2,4-triazol-5-amine (CID 138502587) is N-hexan-3-yl-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for N-hexan-3-yl-1H-1,2,4-triazol-5-amine?
The canonical SMILES for N-hexan-3-yl-1H-1,2,4-triazol-5-amine is CCCC(CC)Nc1ncn[nH]1.
What is the InChIKey of N-hexan-3-yl-1H-1,2,4-triazol-5-amine?
The InChIKey is SJPHWYYIMSUNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-3-5-7(4-2)11-8-9-6-10-12-8/h6-7H,3-5H2,1-2H3,(H2,9,10,11,12).
What are the key properties of N-hexan-3-yl-1H-1,2,4-triazol-5-amine?
N-hexan-3-yl-1H-1,2,4-triazol-5-amine has a molecular weight of 168.24 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-3-yl-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 138502587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).