1-ethyl-7-methyl-3-(1H-1,2,4-triazol-5-yl)-1,8-naphthyridin-4-one

C13H13N5O — CID 135393652

IUPAC1-ethyl-7-methyl-3-(1H-1,2,4-triazol-5-yl)-1,8-naphthyridin-4-one
SMILESCCn1cc(-c2ncn[nH]2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C13H13N5O/c1-3-18-6-10(12-14-7-15-17-12)11(19)9-5-4-8(2)16-13(9)18/h4-7H,3H2,1-2H3,(H,14,15,17)
InChIKeyURWSXEXFSIVVOE-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.51
Rot. Bonds2

About 1-ethyl-7-methyl-3-(1H-1,2,4-triazol-5-yl)-1,8-naphthyridin-4-one

1-ethyl-7-methyl-3-(1H-1,2,4-triazol-5-yl)-1,8-naphthyridin-4-one (PubChem CID 135393652) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-ethyl-7-methyl-3-(1H-1,2,4-triazol-5-yl)-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name1-ethyl-7-methyl-3-(1H-1,2,4-triazol-5-yl)-1,8-naphthyridin-4-one
PubChem CID135393652
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name1-ethyl-7-methyl-3-(1H-1,2,4-triazol-5-yl)-1,8-naphthyridin-4-one
SMILESCCn1cc(-c2ncn[nH]2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C13H13N5O/c1-3-18-6-10(12-14-7-15-17-12)11(19)9-5-4-8(2)16-13(9)18/h4-7H,3H2,1-2H3,(H,14,15,17)
InChIKeyURWSXEXFSIVVOE-UHFFFAOYSA-N
XLogP1.51
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one
CID 54771795
1-ethyl-3-iodo-7-methyl-1,8-naphthyridin-4-one
CID 10470853
3-ethenyl-1-ethyl-7-methyl-1,8-naphthyridin-4-one
CID 15414761
1-ethyl-3-[5-[[4-[[5-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]-7-methyl-1,8-naphthyridin-4-one
CID 57332469
(4-fluorophenyl)methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 974021
1-ethyl-N-(3-hydroxypropyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 11087497
1-ethyl-7-methyl-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
CID 53013742
2-oxopropyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 3302196
1-ethyl-N-(5-fluoro-2-methylphenyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 53087079
3-[6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one
CID 54768888
1-ethyl-N-[(2R)-2-hydroxypropyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 95074253
butanoyloxymethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 23276372

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-methyl-3-(1H-1,2,4-triazol-5-yl)-1,8-naphthyridin-4-one?
The IUPAC name of 1-ethyl-7-methyl-3-(1H-1,2,4-triazol-5-yl)-1,8-naphthyridin-4-one (CID 135393652) is 1-ethyl-7-methyl-3-(1H-1,2,4-triazol-5-yl)-1,8-naphthyridin-4-one.
What is the SMILES notation for 1-ethyl-7-methyl-3-(1H-1,2,4-triazol-5-yl)-1,8-naphthyridin-4-one?
The canonical SMILES for 1-ethyl-7-methyl-3-(1H-1,2,4-triazol-5-yl)-1,8-naphthyridin-4-one is CCn1cc(-c2ncn[nH]2)c(=O)c2ccc(C)nc21.
What is the InChIKey of 1-ethyl-7-methyl-3-(1H-1,2,4-triazol-5-yl)-1,8-naphthyridin-4-one?
The InChIKey is URWSXEXFSIVVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-3-18-6-10(12-14-7-15-17-12)11(19)9-5-4-8(2)16-13(9)18/h4-7H,3H2,1-2H3,(H,14,15,17).
What are the key properties of 1-ethyl-7-methyl-3-(1H-1,2,4-triazol-5-yl)-1,8-naphthyridin-4-one?
1-ethyl-7-methyl-3-(1H-1,2,4-triazol-5-yl)-1,8-naphthyridin-4-one has a molecular weight of 255.28 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-methyl-3-(1H-1,2,4-triazol-5-yl)-1,8-naphthyridin-4-one is sourced from PubChem (CID 135393652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).