[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamic acid

C10H12FN5O2 — CID 151005086

IUPAC[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamic acid
SMILESCN(CCF)c1nc2cc(NC(=O)O)ccn2n1
InChIInChI=1S/C10H12FN5O2/c1-15(5-3-11)9-13-8-6-7(12-10(17)18)2-4-16(8)14-9/h2,4,6,12H,3,5H2,1H3,(H,17,18)
InChIKeyLUXKLQRVXMKYIU-UHFFFAOYSA-N
MW253.24 g/mol
LogP1.22
Rot. Bonds4

About [2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamic acid

[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamic acid (PubChem CID 151005086) has the molecular formula C10H12FN5O2 and a molecular weight of 253.24 g/mol. Its IUPAC name is [2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamic acid.

Molecular Properties

Compound Name[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamic acid
PubChem CID151005086
Molecular FormulaC10H12FN5O2
Molecular Weight253.24 g/mol
Exact Mass253.10
IUPAC Name[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamic acid
SMILESCN(CCF)c1nc2cc(NC(=O)O)ccn2n1
InChIInChI=1S/C10H12FN5O2/c1-15(5-3-11)9-13-8-6-7(12-10(17)18)2-4-16(8)14-9/h2,4,6,12H,3,5H2,1H3,(H,17,18)
InChIKeyLUXKLQRVXMKYIU-UHFFFAOYSA-N
XLogP1.22
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamic acid?
The IUPAC name of [2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamic acid (CID 151005086) is [2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamic acid.
What is the SMILES notation for [2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamic acid?
The canonical SMILES for [2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamic acid is CN(CCF)c1nc2cc(NC(=O)O)ccn2n1.
What is the InChIKey of [2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamic acid?
The InChIKey is LUXKLQRVXMKYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5O2/c1-15(5-3-11)9-13-8-6-7(12-10(17)18)2-4-16(8)14-9/h2,4,6,12H,3,5H2,1H3,(H,17,18).
What are the key properties of [2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamic acid?
[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamic acid has a molecular weight of 253.24 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamic acid is sourced from PubChem (CID 151005086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).