6-(9H-fluoren-1-yl)-1,2,4-triazine-3,5-diamine

C16H13N5 — CID 118588652

IUPAC6-(9H-fluoren-1-yl)-1,2,4-triazine-3,5-diamine
SMILESNc1nnc(-c2cccc3c2Cc2ccccc2-3)c(N)n1
InChIInChI=1S/C16H13N5/c17-15-14(20-21-16(18)19-15)12-7-3-6-11-10-5-2-1-4-9(10)8-13(11)12/h1-7H,8H2,(H4,17,18,19,21)
InChIKeyPLBGQDJTZSEIIK-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.27
Rot. Bonds1

About 6-(9H-fluoren-1-yl)-1,2,4-triazine-3,5-diamine

6-(9H-fluoren-1-yl)-1,2,4-triazine-3,5-diamine (PubChem CID 118588652) has the molecular formula C16H13N5 and a molecular weight of 275.32 g/mol. Its IUPAC name is 6-(9H-fluoren-1-yl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name6-(9H-fluoren-1-yl)-1,2,4-triazine-3,5-diamine
PubChem CID118588652
Molecular FormulaC16H13N5
Molecular Weight275.32 g/mol
Exact Mass275.12
IUPAC Name6-(9H-fluoren-1-yl)-1,2,4-triazine-3,5-diamine
SMILESNc1nnc(-c2cccc3c2Cc2ccccc2-3)c(N)n1
InChIInChI=1S/C16H13N5/c17-15-14(20-21-16(18)19-15)12-7-3-6-11-10-5-2-1-4-9(10)8-13(11)12/h1-7H,8H2,(H4,17,18,19,21)
InChIKeyPLBGQDJTZSEIIK-UHFFFAOYSA-N
XLogP2.27
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(9H-fluoren-1-yl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 6-(9H-fluoren-1-yl)-1,2,4-triazine-3,5-diamine (CID 118588652) is 6-(9H-fluoren-1-yl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 6-(9H-fluoren-1-yl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 6-(9H-fluoren-1-yl)-1,2,4-triazine-3,5-diamine is Nc1nnc(-c2cccc3c2Cc2ccccc2-3)c(N)n1.
What is the InChIKey of 6-(9H-fluoren-1-yl)-1,2,4-triazine-3,5-diamine?
The InChIKey is PLBGQDJTZSEIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5/c17-15-14(20-21-16(18)19-15)12-7-3-6-11-10-5-2-1-4-9(10)8-13(11)12/h1-7H,8H2,(H4,17,18,19,21).
What are the key properties of 6-(9H-fluoren-1-yl)-1,2,4-triazine-3,5-diamine?
6-(9H-fluoren-1-yl)-1,2,4-triazine-3,5-diamine has a molecular weight of 275.32 g/mol, XLogP of 2.27, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9H-fluoren-1-yl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 118588652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).