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

C10H12FN5 — CID 106303313

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-fluoropyridin-2-amine
SMILESCCn1cnnc1CNc1ccc(F)cn1
InChIInChI=1S/C10H12FN5/c1-2-16-7-14-15-10(16)6-13-9-4-3-8(11)5-12-9/h3-5,7H,2,6H2,1H3,(H,12,13)
InChIKeyHLSWHGBNEUZMNR-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.44
Rot. Bonds4

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

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-fluoropyridin-2-amine (PubChem CID 106303313) has the molecular formula C10H12FN5 and a molecular weight of 221.24 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-fluoropyridin-2-amine
PubChem CID106303313
Molecular FormulaC10H12FN5
Molecular Weight221.24 g/mol
Exact Mass221.11
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-fluoropyridin-2-amine
SMILESCCn1cnnc1CNc1ccc(F)cn1
InChIInChI=1S/C10H12FN5/c1-2-16-7-14-15-10(16)6-13-9-4-3-8(11)5-12-9/h3-5,7H,2,6H2,1H3,(H,12,13)
InChIKeyHLSWHGBNEUZMNR-UHFFFAOYSA-N
XLogP1.44
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-fluoropyridin-2-amine?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-fluoropyridin-2-amine (CID 106303313) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-fluoropyridin-2-amine.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-fluoropyridin-2-amine?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-fluoropyridin-2-amine is CCn1cnnc1CNc1ccc(F)cn1.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-fluoropyridin-2-amine?
The InChIKey is HLSWHGBNEUZMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5/c1-2-16-7-14-15-10(16)6-13-9-4-3-8(11)5-12-9/h3-5,7H,2,6H2,1H3,(H,12,13).
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-fluoropyridin-2-amine?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-fluoropyridin-2-amine has a molecular weight of 221.24 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-fluoropyridin-2-amine is sourced from PubChem (CID 106303313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).