N-(3-fluoropropyl)-5,6-dimethyl-1,2,4-triazin-3-amine

C8H13FN4 — CID 130504306

IUPACN-(3-fluoropropyl)-5,6-dimethyl-1,2,4-triazin-3-amine
SMILESCc1nnc(NCCCF)nc1C
InChIInChI=1S/C8H13FN4/c1-6-7(2)12-13-8(11-6)10-5-3-4-9/h3-5H2,1-2H3,(H,10,11,13)
InChIKeyNXPOCQPDBRWPGY-UHFFFAOYSA-N
MW184.22 g/mol
LogP1.26
Rot. Bonds4

About N-(3-fluoropropyl)-5,6-dimethyl-1,2,4-triazin-3-amine

N-(3-fluoropropyl)-5,6-dimethyl-1,2,4-triazin-3-amine (PubChem CID 130504306) has the molecular formula C8H13FN4 and a molecular weight of 184.22 g/mol. Its IUPAC name is N-(3-fluoropropyl)-5,6-dimethyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(3-fluoropropyl)-5,6-dimethyl-1,2,4-triazin-3-amine
PubChem CID130504306
Molecular FormulaC8H13FN4
Molecular Weight184.22 g/mol
Exact Mass184.11
IUPAC NameN-(3-fluoropropyl)-5,6-dimethyl-1,2,4-triazin-3-amine
SMILESCc1nnc(NCCCF)nc1C
InChIInChI=1S/C8H13FN4/c1-6-7(2)12-13-8(11-6)10-5-3-4-9/h3-5H2,1-2H3,(H,10,11,13)
InChIKeyNXPOCQPDBRWPGY-UHFFFAOYSA-N
XLogP1.26
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropropyl)-5,6-dimethyl-1,2,4-triazin-3-amine?
The IUPAC name of N-(3-fluoropropyl)-5,6-dimethyl-1,2,4-triazin-3-amine (CID 130504306) is N-(3-fluoropropyl)-5,6-dimethyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(3-fluoropropyl)-5,6-dimethyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-(3-fluoropropyl)-5,6-dimethyl-1,2,4-triazin-3-amine is Cc1nnc(NCCCF)nc1C.
What is the InChIKey of N-(3-fluoropropyl)-5,6-dimethyl-1,2,4-triazin-3-amine?
The InChIKey is NXPOCQPDBRWPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN4/c1-6-7(2)12-13-8(11-6)10-5-3-4-9/h3-5H2,1-2H3,(H,10,11,13).
What are the key properties of N-(3-fluoropropyl)-5,6-dimethyl-1,2,4-triazin-3-amine?
N-(3-fluoropropyl)-5,6-dimethyl-1,2,4-triazin-3-amine has a molecular weight of 184.22 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)-5,6-dimethyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 130504306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).