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

C10H12FN5 — CID 62733798

IUPAC3-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
SMILESCC(Nc1ncccc1F)c1nncn1C
InChIInChI=1S/C10H12FN5/c1-7(10-15-13-6-16(10)2)14-9-8(11)4-3-5-12-9/h3-7H,1-2H3,(H,12,14)
InChIKeySTMQSZYFZXAMBU-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.52
Rot. Bonds3

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

3-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine (PubChem CID 62733798) has the molecular formula C10H12FN5 and a molecular weight of 221.24 g/mol. Its IUPAC name is 3-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
PubChem CID62733798
Molecular FormulaC10H12FN5
Molecular Weight221.24 g/mol
Exact Mass221.11
IUPAC Name3-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
SMILESCC(Nc1ncccc1F)c1nncn1C
InChIInChI=1S/C10H12FN5/c1-7(10-15-13-6-16(10)2)14-9-8(11)4-3-5-12-9/h3-7H,1-2H3,(H,12,14)
InChIKeySTMQSZYFZXAMBU-UHFFFAOYSA-N
XLogP1.52
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine?
The IUPAC name of 3-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine (CID 62733798) is 3-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 3-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 3-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine is CC(Nc1ncccc1F)c1nncn1C.
What is the InChIKey of 3-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine?
The InChIKey is STMQSZYFZXAMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5/c1-7(10-15-13-6-16(10)2)14-9-8(11)4-3-5-12-9/h3-7H,1-2H3,(H,12,14).
What are the key properties of 3-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine?
3-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine has a molecular weight of 221.24 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 62733798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).