[5-(5-amino-3-fluoro-2-pyridinyl)-3-methyltriazol-4-yl] carbamate;hydron

C9H10FN6O2+ — CID 175413131

IUPAC[5-(5-amino-3-fluoro-2-pyridinyl)-3-methyltriazol-4-yl] carbamate;hydron
SMILESCn1nnc(-c2ncc(N)cc2F)c1OC(N)=O.[H+]
InChIInChI=1S/C9H9FN6O2/c1-16-8(18-9(12)17)7(14-15-16)6-5(10)2-4(11)3-13-6/h2-3H,11H2,1H3,(H2,12,17)/p+1
InChIKeyPINXVYSJSAGSIN-UHFFFAOYSA-O
MW253.22 g/mol
LogP0.17
Rot. Bonds2

About [5-(5-amino-3-fluoro-2-pyridinyl)-3-methyltriazol-4-yl] carbamate;hydron

[5-(5-amino-3-fluoro-2-pyridinyl)-3-methyltriazol-4-yl] carbamate;hydron (PubChem CID 175413131) has the molecular formula C9H10FN6O2+ and a molecular weight of 253.22 g/mol. Its IUPAC name is [5-(5-amino-3-fluoro-2-pyridinyl)-3-methyltriazol-4-yl] carbamate;hydron.

Molecular Properties

Compound Name[5-(5-amino-3-fluoro-2-pyridinyl)-3-methyltriazol-4-yl] carbamate;hydron
PubChem CID175413131
Molecular FormulaC9H10FN6O2+
Molecular Weight253.22 g/mol
Exact Mass253.08
IUPAC Name[5-(5-amino-3-fluoro-2-pyridinyl)-3-methyltriazol-4-yl] carbamate;hydron
SMILESCn1nnc(-c2ncc(N)cc2F)c1OC(N)=O.[H+]
InChIInChI=1S/C9H9FN6O2/c1-16-8(18-9(12)17)7(14-15-16)6-5(10)2-4(11)3-13-6/h2-3H,11H2,1H3,(H2,12,17)/p+1
InChIKeyPINXVYSJSAGSIN-UHFFFAOYSA-O
XLogP0.17
TPSA121.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-(5-amino-3-fluoro-2-pyridinyl)-3-methyltriazol-4-yl] carbamate;hydron?
The IUPAC name of [5-(5-amino-3-fluoro-2-pyridinyl)-3-methyltriazol-4-yl] carbamate;hydron (CID 175413131) is [5-(5-amino-3-fluoro-2-pyridinyl)-3-methyltriazol-4-yl] carbamate;hydron.
What is the SMILES notation for [5-(5-amino-3-fluoro-2-pyridinyl)-3-methyltriazol-4-yl] carbamate;hydron?
The canonical SMILES for [5-(5-amino-3-fluoro-2-pyridinyl)-3-methyltriazol-4-yl] carbamate;hydron is Cn1nnc(-c2ncc(N)cc2F)c1OC(N)=O.[H+].
What is the InChIKey of [5-(5-amino-3-fluoro-2-pyridinyl)-3-methyltriazol-4-yl] carbamate;hydron?
The InChIKey is PINXVYSJSAGSIN-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H9FN6O2/c1-16-8(18-9(12)17)7(14-15-16)6-5(10)2-4(11)3-13-6/h2-3H,11H2,1H3,(H2,12,17)/p+1.
What are the key properties of [5-(5-amino-3-fluoro-2-pyridinyl)-3-methyltriazol-4-yl] carbamate;hydron?
[5-(5-amino-3-fluoro-2-pyridinyl)-3-methyltriazol-4-yl] carbamate;hydron has a molecular weight of 253.22 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-amino-3-fluoro-2-pyridinyl)-3-methyltriazol-4-yl] carbamate;hydron is sourced from PubChem (CID 175413131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).