3-tert-butyl-1,2,4-triazin-5-amine

C7H12N4 — CID 83528893

IUPAC3-tert-butyl-1,2,4-triazin-5-amine
SMILESCC(C)(C)c1nncc(N)n1
InChIInChI=1S/C7H12N4/c1-7(2,3)6-10-5(8)4-9-11-6/h4H,1-3H3,(H2,8,10,11)
InChIKeyWCZWKKHVYZGUJI-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.75
Rot. Bonds

About 3-tert-butyl-1,2,4-triazin-5-amine

3-tert-butyl-1,2,4-triazin-5-amine (PubChem CID 83528893) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 3-tert-butyl-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-tert-butyl-1,2,4-triazin-5-amine
PubChem CID83528893
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name3-tert-butyl-1,2,4-triazin-5-amine
SMILESCC(C)(C)c1nncc(N)n1
InChIInChI=1S/C7H12N4/c1-7(2,3)6-10-5(8)4-9-11-6/h4H,1-3H3,(H2,8,10,11)
InChIKeyWCZWKKHVYZGUJI-UHFFFAOYSA-N
XLogP0.75
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1,2,4-triazin-5-amine?
The IUPAC name of 3-tert-butyl-1,2,4-triazin-5-amine (CID 83528893) is 3-tert-butyl-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-tert-butyl-1,2,4-triazin-5-amine?
The canonical SMILES for 3-tert-butyl-1,2,4-triazin-5-amine is CC(C)(C)c1nncc(N)n1.
What is the InChIKey of 3-tert-butyl-1,2,4-triazin-5-amine?
The InChIKey is WCZWKKHVYZGUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-7(2,3)6-10-5(8)4-9-11-6/h4H,1-3H3,(H2,8,10,11).
What are the key properties of 3-tert-butyl-1,2,4-triazin-5-amine?
3-tert-butyl-1,2,4-triazin-5-amine has a molecular weight of 152.20 g/mol, XLogP of 0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1,2,4-triazin-5-amine is sourced from PubChem (CID 83528893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).