2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine

C6H8F3N5 — CID 130921265

IUPAC2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(Nc1ncnc(N)n1)C(F)(F)F
InChIInChI=1S/C6H8F3N5/c1-3(6(7,8)9)13-5-12-2-11-4(10)14-5/h2-3H,1H3,(H3,10,11,12,13,14)
InChIKeyIZCGGJXVVAWOGI-UHFFFAOYSA-N
MW207.16 g/mol
LogP0.82
Rot. Bonds2

About 2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine

2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 130921265) has the molecular formula C6H8F3N5 and a molecular weight of 207.16 g/mol. Its IUPAC name is 2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID130921265
Molecular FormulaC6H8F3N5
Molecular Weight207.16 g/mol
Exact Mass207.07
IUPAC Name2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(Nc1ncnc(N)n1)C(F)(F)F
InChIInChI=1S/C6H8F3N5/c1-3(6(7,8)9)13-5-12-2-11-4(10)14-5/h2-3H,1H3,(H3,10,11,12,13,14)
InChIKeyIZCGGJXVVAWOGI-UHFFFAOYSA-N
XLogP0.82
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine (CID 130921265) is 2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine is CC(Nc1ncnc(N)n1)C(F)(F)F.
What is the InChIKey of 2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is IZCGGJXVVAWOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N5/c1-3(6(7,8)9)13-5-12-2-11-4(10)14-5/h2-3H,1H3,(H3,10,11,12,13,14).
What are the key properties of 2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 207.16 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 130921265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).