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

C9H15FN4 — CID 131114374

IUPACN-(3-fluorobutyl)-5,6-dimethyl-1,2,4-triazin-3-amine
SMILESCc1nnc(NCCC(C)F)nc1C
InChIInChI=1S/C9H15FN4/c1-6(10)4-5-11-9-12-7(2)8(3)13-14-9/h6H,4-5H2,1-3H3,(H,11,12,14)
InChIKeyHZYJHAMMNJLAQP-UHFFFAOYSA-N
MW198.24 g/mol
LogP1.65
Rot. Bonds4

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

N-(3-fluorobutyl)-5,6-dimethyl-1,2,4-triazin-3-amine (PubChem CID 131114374) has the molecular formula C9H15FN4 and a molecular weight of 198.24 g/mol. Its IUPAC name is N-(3-fluorobutyl)-5,6-dimethyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(3-fluorobutyl)-5,6-dimethyl-1,2,4-triazin-3-amine
PubChem CID131114374
Molecular FormulaC9H15FN4
Molecular Weight198.24 g/mol
Exact Mass198.13
IUPAC NameN-(3-fluorobutyl)-5,6-dimethyl-1,2,4-triazin-3-amine
SMILESCc1nnc(NCCC(C)F)nc1C
InChIInChI=1S/C9H15FN4/c1-6(10)4-5-11-9-12-7(2)8(3)13-14-9/h6H,4-5H2,1-3H3,(H,11,12,14)
InChIKeyHZYJHAMMNJLAQP-UHFFFAOYSA-N
XLogP1.65
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorobutyl)-5,6-dimethyl-1,2,4-triazin-3-amine?
The IUPAC name of N-(3-fluorobutyl)-5,6-dimethyl-1,2,4-triazin-3-amine (CID 131114374) is N-(3-fluorobutyl)-5,6-dimethyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(3-fluorobutyl)-5,6-dimethyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-(3-fluorobutyl)-5,6-dimethyl-1,2,4-triazin-3-amine is Cc1nnc(NCCC(C)F)nc1C.
What is the InChIKey of N-(3-fluorobutyl)-5,6-dimethyl-1,2,4-triazin-3-amine?
The InChIKey is HZYJHAMMNJLAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN4/c1-6(10)4-5-11-9-12-7(2)8(3)13-14-9/h6H,4-5H2,1-3H3,(H,11,12,14).
What are the key properties of N-(3-fluorobutyl)-5,6-dimethyl-1,2,4-triazin-3-amine?
N-(3-fluorobutyl)-5,6-dimethyl-1,2,4-triazin-3-amine has a molecular weight of 198.24 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorobutyl)-5,6-dimethyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 131114374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).