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

C7H12N4 — CID 58336940

IUPACN-tert-butyl-1,2,4-triazin-3-amine
SMILESCC(C)(C)Nc1nccnn1
InChIInChI=1S/C7H12N4/c1-7(2,3)10-6-8-4-5-9-11-6/h4-5H,1-3H3,(H,8,10,11)
InChIKeyUFMRRVLWNQKFPU-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.08
Rot. Bonds1

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

N-tert-butyl-1,2,4-triazin-3-amine (PubChem CID 58336940) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is N-tert-butyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-tert-butyl-1,2,4-triazin-3-amine
PubChem CID58336940
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC NameN-tert-butyl-1,2,4-triazin-3-amine
SMILESCC(C)(C)Nc1nccnn1
InChIInChI=1S/C7H12N4/c1-7(2,3)10-6-8-4-5-9-11-6/h4-5H,1-3H3,(H,8,10,11)
InChIKeyUFMRRVLWNQKFPU-UHFFFAOYSA-N
XLogP1.08
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1,2,4-triazin-3-amine?
The IUPAC name of N-tert-butyl-1,2,4-triazin-3-amine (CID 58336940) is N-tert-butyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-tert-butyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-tert-butyl-1,2,4-triazin-3-amine is CC(C)(C)Nc1nccnn1.
What is the InChIKey of N-tert-butyl-1,2,4-triazin-3-amine?
The InChIKey is UFMRRVLWNQKFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-7(2,3)10-6-8-4-5-9-11-6/h4-5H,1-3H3,(H,8,10,11).
What are the key properties of N-tert-butyl-1,2,4-triazin-3-amine?
N-tert-butyl-1,2,4-triazin-3-amine has a molecular weight of 152.20 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 58336940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).