N-tert-butyl-3,6-dichloro-1,2,4-triazin-5-amine

C7H10Cl2N4 — CID 13055458

IUPACN-tert-butyl-3,6-dichloro-1,2,4-triazin-5-amine
SMILESCC(C)(C)Nc1nc(Cl)nnc1Cl
InChIInChI=1S/C7H10Cl2N4/c1-7(2,3)11-5-4(8)12-13-6(9)10-5/h1-3H3,(H,10,11,13)
InChIKeyOGFCXGBBYKNMFO-UHFFFAOYSA-N
MW221.09 g/mol
LogP2.39
Rot. Bonds1

About N-tert-butyl-3,6-dichloro-1,2,4-triazin-5-amine

N-tert-butyl-3,6-dichloro-1,2,4-triazin-5-amine (PubChem CID 13055458) has the molecular formula C7H10Cl2N4 and a molecular weight of 221.09 g/mol. Its IUPAC name is N-tert-butyl-3,6-dichloro-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-tert-butyl-3,6-dichloro-1,2,4-triazin-5-amine
PubChem CID13055458
Molecular FormulaC7H10Cl2N4
Molecular Weight221.09 g/mol
Exact Mass220.03
IUPAC NameN-tert-butyl-3,6-dichloro-1,2,4-triazin-5-amine
SMILESCC(C)(C)Nc1nc(Cl)nnc1Cl
InChIInChI=1S/C7H10Cl2N4/c1-7(2,3)11-5-4(8)12-13-6(9)10-5/h1-3H3,(H,10,11,13)
InChIKeyOGFCXGBBYKNMFO-UHFFFAOYSA-N
XLogP2.39
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.09
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3,6-dichloro-1,2,4-triazin-5-amine?
The IUPAC name of N-tert-butyl-3,6-dichloro-1,2,4-triazin-5-amine (CID 13055458) is N-tert-butyl-3,6-dichloro-1,2,4-triazin-5-amine.
What is the SMILES notation for N-tert-butyl-3,6-dichloro-1,2,4-triazin-5-amine?
The canonical SMILES for N-tert-butyl-3,6-dichloro-1,2,4-triazin-5-amine is CC(C)(C)Nc1nc(Cl)nnc1Cl.
What is the InChIKey of N-tert-butyl-3,6-dichloro-1,2,4-triazin-5-amine?
The InChIKey is OGFCXGBBYKNMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Cl2N4/c1-7(2,3)11-5-4(8)12-13-6(9)10-5/h1-3H3,(H,10,11,13).
What are the key properties of N-tert-butyl-3,6-dichloro-1,2,4-triazin-5-amine?
N-tert-butyl-3,6-dichloro-1,2,4-triazin-5-amine has a molecular weight of 221.09 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3,6-dichloro-1,2,4-triazin-5-amine is sourced from PubChem (CID 13055458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).