2-N-(cyclopentylmethyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine

C10H14F3N5 — CID 112746494

IUPAC2-N-(cyclopentylmethyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NCC2CCCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N5/c11-10(12,13)7-16-8(14)18-9(17-7)15-5-6-3-1-2-4-6/h6H,1-5H2,(H3,14,15,16,17,18)
InChIKeyZZNBSIGCVOIRKA-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.07
Rot. Bonds3

About 2-N-(cyclopentylmethyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine

2-N-(cyclopentylmethyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 112746494) has the molecular formula C10H14F3N5 and a molecular weight of 261.25 g/mol. Its IUPAC name is 2-N-(cyclopentylmethyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(cyclopentylmethyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
PubChem CID112746494
Molecular FormulaC10H14F3N5
Molecular Weight261.25 g/mol
Exact Mass261.12
IUPAC Name2-N-(cyclopentylmethyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NCC2CCCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N5/c11-10(12,13)7-16-8(14)18-9(17-7)15-5-6-3-1-2-4-6/h6H,1-5H2,(H3,14,15,16,17,18)
InChIKeyZZNBSIGCVOIRKA-UHFFFAOYSA-N
XLogP2.07
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopentylmethyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(cyclopentylmethyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine (CID 112746494) is 2-N-(cyclopentylmethyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(cyclopentylmethyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(cyclopentylmethyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine is Nc1nc(NCC2CCCC2)nc(C(F)(F)F)n1.
What is the InChIKey of 2-N-(cyclopentylmethyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is ZZNBSIGCVOIRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N5/c11-10(12,13)7-16-8(14)18-9(17-7)15-5-6-3-1-2-4-6/h6H,1-5H2,(H3,14,15,16,17,18).
What are the key properties of 2-N-(cyclopentylmethyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
2-N-(cyclopentylmethyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 261.25 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopentylmethyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 112746494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).