6-cycloheptyl-1,3,5-triazine-2,4-diamine

C10H17N5 — CID 69211590

IUPAC6-cycloheptyl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(C2CCCCCC2)n1
InChIInChI=1S/C10H17N5/c11-9-13-8(14-10(12)15-9)7-5-3-1-2-4-6-7/h7H,1-6H2,(H4,11,12,13,14,15)
InChIKeyZTFSUOMVXSTVCZ-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.47
Rot. Bonds1

About 6-cycloheptyl-1,3,5-triazine-2,4-diamine

6-cycloheptyl-1,3,5-triazine-2,4-diamine (PubChem CID 69211590) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is 6-cycloheptyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-cycloheptyl-1,3,5-triazine-2,4-diamine
PubChem CID69211590
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC Name6-cycloheptyl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(C2CCCCCC2)n1
InChIInChI=1S/C10H17N5/c11-9-13-8(14-10(12)15-9)7-5-3-1-2-4-6-7/h7H,1-6H2,(H4,11,12,13,14,15)
InChIKeyZTFSUOMVXSTVCZ-UHFFFAOYSA-N
XLogP1.47
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cycloheptyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-cycloheptyl-1,3,5-triazine-2,4-diamine (CID 69211590) is 6-cycloheptyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-cycloheptyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-cycloheptyl-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(C2CCCCCC2)n1.
What is the InChIKey of 6-cycloheptyl-1,3,5-triazine-2,4-diamine?
The InChIKey is ZTFSUOMVXSTVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5/c11-9-13-8(14-10(12)15-9)7-5-3-1-2-4-6-7/h7H,1-6H2,(H4,11,12,13,14,15).
What are the key properties of 6-cycloheptyl-1,3,5-triazine-2,4-diamine?
6-cycloheptyl-1,3,5-triazine-2,4-diamine has a molecular weight of 207.28 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cycloheptyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 69211590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).