3,5-Bis(1-methylethyl)-4H-1,2,4-triazol-4-amine

C8H16N4 — CID 14338417

IUPAC3,5-di(propan-2-yl)-1,2,4-triazol-4-amine
SMILESCC(C)C1=NN=C(N1N)C(C)C
InChIInChI=1S/C8H16N4/c1-5(2)7-10-11-8(6(3)4)12(7)9/h5-6H,9H2,1-4H3
InChIKeySTDSYBXEQMBJHB-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.50
Rot. Bonds2

About 3,5-Bis(1-methylethyl)-4H-1,2,4-triazol-4-amine

3,5-Bis(1-methylethyl)-4H-1,2,4-triazol-4-amine (PubChem CID 14338417) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3,5-di(propan-2-yl)-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3,5-Bis(1-methylethyl)-4H-1,2,4-triazol-4-amine
PubChem CID14338417
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name3,5-di(propan-2-yl)-1,2,4-triazol-4-amine
SMILESCC(C)C1=NN=C(N1N)C(C)C
InChIInChI=1S/C8H16N4/c1-5(2)7-10-11-8(6(3)4)12(7)9/h5-6H,9H2,1-4H3
InChIKeySTDSYBXEQMBJHB-UHFFFAOYSA-N
XLogP1.50
TPSA56.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity130

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Amino-3,5-dimethyl-1,2,4-triazole
CID 229800
5-(propan-2-yl)-4H-1,2,4-triazol-3-amine
CID 2756463
3,5-Diethyl-4h-1,2,4-triazol-4-amine
CID 221248
Sbb059526
CID 2769373
3,5-Bis-(2-methoxy-ethyl)-[1,2,4]triazol-4-ylamine
CID 542599
3,5-Dipropyl-1,2,4-triazol-4-ylamine
CID 2758722
3-Ethyl-5-hydrazino-1,2,4-triazole-4-ylamine
CID 2794216
3,5-Dibutyl-4H-1,2,4-triazol-4-amine
CID 14338418
4-Amino-3,5-dipentyl-4h-1,2,4-triazole
CID 53434670
3,5-Dii-butyl-1h-1,2,4-triazole
CID 66487039
4-Fluoro-3-propan-2-yl-5-propyl-1,2,4-triazole
CID 141605967
5-Propan-2-yl-3-(trifluoromethyl)-1,2,4-triazol-1-amine
CID 149511675

Frequently Asked Questions

What is the IUPAC name of 3,5-Bis(1-methylethyl)-4H-1,2,4-triazol-4-amine?
The IUPAC name of 3,5-Bis(1-methylethyl)-4H-1,2,4-triazol-4-amine (CID 14338417) is 3,5-di(propan-2-yl)-1,2,4-triazol-4-amine.
What is the SMILES notation for 3,5-Bis(1-methylethyl)-4H-1,2,4-triazol-4-amine?
The canonical SMILES for 3,5-Bis(1-methylethyl)-4H-1,2,4-triazol-4-amine is CC(C)C1=NN=C(N1N)C(C)C.
What is the InChIKey of 3,5-Bis(1-methylethyl)-4H-1,2,4-triazol-4-amine?
The InChIKey is STDSYBXEQMBJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-5(2)7-10-11-8(6(3)4)12(7)9/h5-6H,9H2,1-4H3.
What are the key properties of 3,5-Bis(1-methylethyl)-4H-1,2,4-triazol-4-amine?
3,5-Bis(1-methylethyl)-4H-1,2,4-triazol-4-amine has a molecular weight of 168.24 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-Bis(1-methylethyl)-4H-1,2,4-triazol-4-amine is sourced from PubChem (CID 14338417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).