4-imino-5-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazin-2-amine

C6H8F3N5 — CID 175042926

IUPAC4-imino-5-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazin-2-amine
SMILES[H]/N=c1\nc(N)ncn1C(C)C(F)(F)F
InChIInChI=1S/C6H8F3N5/c1-3(6(7,8)9)14-2-12-4(10)13-5(14)11/h2-3H,1H3,(H3,10,11,13)
InChIKeyOMLSOWNBPOTWLA-UHFFFAOYSA-N
MW207.16 g/mol
LogP0.46
Rot. Bonds1

About 4-imino-5-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazin-2-amine

4-imino-5-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazin-2-amine (PubChem CID 175042926) has the molecular formula C6H8F3N5 and a molecular weight of 207.16 g/mol. Its IUPAC name is 4-imino-5-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-imino-5-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazin-2-amine
PubChem CID175042926
Molecular FormulaC6H8F3N5
Molecular Weight207.16 g/mol
Exact Mass207.07
IUPAC Name4-imino-5-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazin-2-amine
SMILES[H]/N=c1\nc(N)ncn1C(C)C(F)(F)F
InChIInChI=1S/C6H8F3N5/c1-3(6(7,8)9)14-2-12-4(10)13-5(14)11/h2-3H,1H3,(H3,10,11,13)
InChIKeyOMLSOWNBPOTWLA-UHFFFAOYSA-N
XLogP0.46
TPSA80.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-1,1,1-trifluoropropan-2-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]imino-1,3,5-triazin-2-amine
CID 162453113
1-[(2R)-1,1,1-trifluoropropan-2-yl]-6-[(2R)-1,1,1-trifluoropropan-2-yl]imino-1,3,5-triazin-2-amine
CID 162453115
5-[(2R)-1,1,1-trifluoropropan-2-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]imino-1,3,5-triazin-2-amine
CID 162453116
1-carbamimidoyl-1,2-bis[(2R)-1,1,1-trifluoropropan-2-yl]guanidine;hydrochloride
CID 177210307
1-propan-2-yl-6-(trifluoromethyl)-2H-1,3,5-triazine-2,4-diamine
CID 21151823
1-Propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 61605169
2-Methyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 62358423
1-Methyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 62363432
2-Cyclopropyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62363433
3-(Diaminomethylidene)-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 83031642
3-(Diaminomethylidene)-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine
CID 83031652
3-(Diaminomethylidene)-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 83031930

Frequently Asked Questions

What is the IUPAC name of 4-imino-5-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-imino-5-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazin-2-amine (CID 175042926) is 4-imino-5-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-imino-5-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-imino-5-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazin-2-amine is [H]/N=c1\nc(N)ncn1C(C)C(F)(F)F.
What is the InChIKey of 4-imino-5-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is OMLSOWNBPOTWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N5/c1-3(6(7,8)9)14-2-12-4(10)13-5(14)11/h2-3H,1H3,(H3,10,11,13).
What are the key properties of 4-imino-5-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazin-2-amine?
4-imino-5-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 207.16 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-5-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 175042926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).