5-fluoro-2-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine

C9H13FN8 — CID 80908117

IUPAC5-fluoro-2-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
SMILESCC(Nc1nc(NN)ncc1F)c1nncn1C
InChIInChI=1S/C9H13FN8/c1-5(8-17-13-4-18(8)2)14-7-6(10)3-12-9(15-7)16-11/h3-5H,11H2,1-2H3,(H2,12,14,15,16)
InChIKeySLRFGHKRGRLVBR-UHFFFAOYSA-N
MW252.26 g/mol
LogP0.20
Rot. Bonds4

About 5-fluoro-2-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine

5-fluoro-2-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine (PubChem CID 80908117) has the molecular formula C9H13FN8 and a molecular weight of 252.26 g/mol. Its IUPAC name is 5-fluoro-2-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
PubChem CID80908117
Molecular FormulaC9H13FN8
Molecular Weight252.26 g/mol
Exact Mass252.12
IUPAC Name5-fluoro-2-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
SMILESCC(Nc1nc(NN)ncc1F)c1nncn1C
InChIInChI=1S/C9H13FN8/c1-5(8-17-13-4-18(8)2)14-7-6(10)3-12-9(15-7)16-11/h3-5H,11H2,1-2H3,(H2,12,14,15,16)
InChIKeySLRFGHKRGRLVBR-UHFFFAOYSA-N
XLogP0.20
TPSA106.57 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine (CID 80908117) is 5-fluoro-2-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine is CC(Nc1nc(NN)ncc1F)c1nncn1C.
What is the InChIKey of 5-fluoro-2-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine?
The InChIKey is SLRFGHKRGRLVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN8/c1-5(8-17-13-4-18(8)2)14-7-6(10)3-12-9(15-7)16-11/h3-5H,11H2,1-2H3,(H2,12,14,15,16).
What are the key properties of 5-fluoro-2-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine?
5-fluoro-2-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine has a molecular weight of 252.26 g/mol, XLogP of 0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 80908117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).