[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methanamine

C9H10FN5O — CID 106597908

IUPAC[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methanamine
SMILESCn1cnc(Oc2nccc(CN)c2F)n1
InChIInChI=1S/C9H10FN5O/c1-15-5-13-9(14-15)16-8-7(10)6(4-11)2-3-12-8/h2-3,5H,4,11H2,1H3
InChIKeyKFTACNXJNMVKKD-UHFFFAOYSA-N
MW223.21 g/mol
LogP0.60
Rot. Bonds3

About [3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methanamine

[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methanamine (PubChem CID 106597908) has the molecular formula C9H10FN5O and a molecular weight of 223.21 g/mol. Its IUPAC name is [3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methanamine
PubChem CID106597908
Molecular FormulaC9H10FN5O
Molecular Weight223.21 g/mol
Exact Mass223.09
IUPAC Name[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methanamine
SMILESCn1cnc(Oc2nccc(CN)c2F)n1
InChIInChI=1S/C9H10FN5O/c1-15-5-13-9(14-15)16-8-7(10)6(4-11)2-3-12-8/h2-3,5H,4,11H2,1H3
InChIKeyKFTACNXJNMVKKD-UHFFFAOYSA-N
XLogP0.60
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methanamine?
The IUPAC name of [3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methanamine (CID 106597908) is [3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methanamine.
What is the SMILES notation for [3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methanamine?
The canonical SMILES for [3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methanamine is Cn1cnc(Oc2nccc(CN)c2F)n1.
What is the InChIKey of [3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methanamine?
The InChIKey is KFTACNXJNMVKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN5O/c1-15-5-13-9(14-15)16-8-7(10)6(4-11)2-3-12-8/h2-3,5H,4,11H2,1H3.
What are the key properties of [3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methanamine?
[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methanamine has a molecular weight of 223.21 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methanamine is sourced from PubChem (CID 106597908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).