1-[(3-ethyltriazol-4-yl)methyl]-3-fluoropyridin-2-one

C10H11FN4O — CID 167830733

IUPAC1-[(3-ethyltriazol-4-yl)methyl]-3-fluoropyridin-2-one
SMILESCCn1nncc1Cn1cccc(F)c1=O
InChIInChI=1S/C10H11FN4O/c1-2-15-8(6-12-13-15)7-14-5-3-4-9(11)10(14)16/h3-6H,2,7H2,1H3
InChIKeyDTPNLDWMEPOALQ-UHFFFAOYSA-N
MW222.22 g/mol
LogP0.65
Rot. Bonds3

About 1-[(3-ethyltriazol-4-yl)methyl]-3-fluoropyridin-2-one

1-[(3-ethyltriazol-4-yl)methyl]-3-fluoropyridin-2-one (PubChem CID 167830733) has the molecular formula C10H11FN4O and a molecular weight of 222.22 g/mol. Its IUPAC name is 1-[(3-ethyltriazol-4-yl)methyl]-3-fluoropyridin-2-one.

Molecular Properties

Compound Name1-[(3-ethyltriazol-4-yl)methyl]-3-fluoropyridin-2-one
PubChem CID167830733
Molecular FormulaC10H11FN4O
Molecular Weight222.22 g/mol
Exact Mass222.09
IUPAC Name1-[(3-ethyltriazol-4-yl)methyl]-3-fluoropyridin-2-one
SMILESCCn1nncc1Cn1cccc(F)c1=O
InChIInChI=1S/C10H11FN4O/c1-2-15-8(6-12-13-15)7-14-5-3-4-9(11)10(14)16/h3-6H,2,7H2,1H3
InChIKeyDTPNLDWMEPOALQ-UHFFFAOYSA-N
XLogP0.65
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methyltriazol-4-yl)methyl]-N-prop-2-enylacetamide
CID 134843400
4-Amino-3-fluoro-1-[3-fluoro-4-(4-methyltriazol-1-yl)butyl]pyridin-2-one
CID 144993262
N-ethyl-2-fluoro-N-[(1-methyltriazol-4-yl)methyl]prop-2-enamide
CID 166417394
1-[(1-Methyltriazol-4-yl)methyl]pyrrole-2,5-dione
CID 58481272
1-[(1-Ethyltriazol-4-yl)methyl]pyrrole-2,5-dione
CID 117672088
1-[(1-Pentyltriazol-4-yl)methyl]pyrrole-2,5-dione
CID 121327483
N-methyl-N-[(3-methyltriazol-4-yl)methyl]acetamide
CID 141697503
Ethane;1-[(1-pentyltriazol-4-yl)methyl]pyrrole-2,5-dione
CID 145076719
1-[(1-Butyltriazol-4-yl)methyl]pyrrole-2,5-dione;ethane
CID 145076722
1-[(1-Butyltriazol-4-yl)methyl]pyrrole-2,5-dione
CID 145076723
N-[(1-ethyltriazol-4-yl)methyl]-N-methylacetamide
CID 172263761
1-Methyl-4-[4-(methylaminomethyl)triazol-1-yl]pyridin-2-one
CID 174175800

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyltriazol-4-yl)methyl]-3-fluoropyridin-2-one?
The IUPAC name of 1-[(3-ethyltriazol-4-yl)methyl]-3-fluoropyridin-2-one (CID 167830733) is 1-[(3-ethyltriazol-4-yl)methyl]-3-fluoropyridin-2-one.
What is the SMILES notation for 1-[(3-ethyltriazol-4-yl)methyl]-3-fluoropyridin-2-one?
The canonical SMILES for 1-[(3-ethyltriazol-4-yl)methyl]-3-fluoropyridin-2-one is CCn1nncc1Cn1cccc(F)c1=O.
What is the InChIKey of 1-[(3-ethyltriazol-4-yl)methyl]-3-fluoropyridin-2-one?
The InChIKey is DTPNLDWMEPOALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O/c1-2-15-8(6-12-13-15)7-14-5-3-4-9(11)10(14)16/h3-6H,2,7H2,1H3.
What are the key properties of 1-[(3-ethyltriazol-4-yl)methyl]-3-fluoropyridin-2-one?
1-[(3-ethyltriazol-4-yl)methyl]-3-fluoropyridin-2-one has a molecular weight of 222.22 g/mol, XLogP of 0.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyltriazol-4-yl)methyl]-3-fluoropyridin-2-one is sourced from PubChem (CID 167830733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).