2-tert-butyl-1,2,4-triazol-3-amine

C6H12N4 — CID 62678660

IUPAC2-tert-butyl-1,2,4-triazol-3-amine
SMILESCC(C)(C)n1ncnc1N
InChIInChI=1S/C6H12N4/c1-6(2,3)10-5(7)8-4-9-10/h4H,1-3H3,(H2,7,8,9)
InChIKeyCTVKXSFYBWIMAL-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.62
Rot. Bonds

About 2-tert-butyl-1,2,4-triazol-3-amine

2-tert-butyl-1,2,4-triazol-3-amine (PubChem CID 62678660) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 2-tert-butyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-tert-butyl-1,2,4-triazol-3-amine
PubChem CID62678660
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name2-tert-butyl-1,2,4-triazol-3-amine
SMILESCC(C)(C)n1ncnc1N
InChIInChI=1S/C6H12N4/c1-6(2,3)10-5(7)8-4-9-10/h4H,1-3H3,(H2,7,8,9)
InChIKeyCTVKXSFYBWIMAL-UHFFFAOYSA-N
XLogP0.62
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,2,4-triazol-3-amine?
The IUPAC name of 2-tert-butyl-1,2,4-triazol-3-amine (CID 62678660) is 2-tert-butyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-tert-butyl-1,2,4-triazol-3-amine?
The canonical SMILES for 2-tert-butyl-1,2,4-triazol-3-amine is CC(C)(C)n1ncnc1N.
What is the InChIKey of 2-tert-butyl-1,2,4-triazol-3-amine?
The InChIKey is CTVKXSFYBWIMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-6(2,3)10-5(7)8-4-9-10/h4H,1-3H3,(H2,7,8,9).
What are the key properties of 2-tert-butyl-1,2,4-triazol-3-amine?
2-tert-butyl-1,2,4-triazol-3-amine has a molecular weight of 140.19 g/mol, XLogP of 0.62, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 62678660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).