3,6-dichloro-N-propan-2-yl-1,2,4-triazin-5-amine

C6H8Cl2N4 — CID 13055463

IUPAC3,6-dichloro-N-propan-2-yl-1,2,4-triazin-5-amine
SMILESCC(C)Nc1nc(Cl)nnc1Cl
InChIInChI=1S/C6H8Cl2N4/c1-3(2)9-5-4(7)11-12-6(8)10-5/h3H,1-2H3,(H,9,10,12)
InChIKeyXRVIEJCRABCBPW-UHFFFAOYSA-N
MW207.06 g/mol
LogP2.00
Rot. Bonds2

About 3,6-dichloro-N-propan-2-yl-1,2,4-triazin-5-amine

3,6-dichloro-N-propan-2-yl-1,2,4-triazin-5-amine (PubChem CID 13055463) has the molecular formula C6H8Cl2N4 and a molecular weight of 207.06 g/mol. Its IUPAC name is 3,6-dichloro-N-propan-2-yl-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3,6-dichloro-N-propan-2-yl-1,2,4-triazin-5-amine
PubChem CID13055463
Molecular FormulaC6H8Cl2N4
Molecular Weight207.06 g/mol
Exact Mass206.01
IUPAC Name3,6-dichloro-N-propan-2-yl-1,2,4-triazin-5-amine
SMILESCC(C)Nc1nc(Cl)nnc1Cl
InChIInChI=1S/C6H8Cl2N4/c1-3(2)9-5-4(7)11-12-6(8)10-5/h3H,1-2H3,(H,9,10,12)
InChIKeyXRVIEJCRABCBPW-UHFFFAOYSA-N
XLogP2.00
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.06
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-propan-2-yl-1,2,4-triazin-5-amine?
The IUPAC name of 3,6-dichloro-N-propan-2-yl-1,2,4-triazin-5-amine (CID 13055463) is 3,6-dichloro-N-propan-2-yl-1,2,4-triazin-5-amine.
What is the SMILES notation for 3,6-dichloro-N-propan-2-yl-1,2,4-triazin-5-amine?
The canonical SMILES for 3,6-dichloro-N-propan-2-yl-1,2,4-triazin-5-amine is CC(C)Nc1nc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-N-propan-2-yl-1,2,4-triazin-5-amine?
The InChIKey is XRVIEJCRABCBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Cl2N4/c1-3(2)9-5-4(7)11-12-6(8)10-5/h3H,1-2H3,(H,9,10,12).
What are the key properties of 3,6-dichloro-N-propan-2-yl-1,2,4-triazin-5-amine?
3,6-dichloro-N-propan-2-yl-1,2,4-triazin-5-amine has a molecular weight of 207.06 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-propan-2-yl-1,2,4-triazin-5-amine is sourced from PubChem (CID 13055463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).