(1-tert-butyl-1,2,4-triazol-3-yl)-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)methanone

C15H19N5O — CID 136544164

IUPAC(1-tert-butyl-1,2,4-triazol-3-yl)-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)methanone
SMILESCC(C)(C)n1cnc(C(=O)N2CCCc3ncccc32)n1
InChIInChI=1S/C15H19N5O/c1-15(2,3)20-10-17-13(18-20)14(21)19-9-5-6-11-12(19)7-4-8-16-11/h4,7-8,10H,5-6,9H2,1-3H3
InChIKeyUPRWTJFOPGQZHE-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.02
Rot. Bonds1

About (1-tert-butyl-1,2,4-triazol-3-yl)-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)methanone

(1-tert-butyl-1,2,4-triazol-3-yl)-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)methanone (PubChem CID 136544164) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is (1-tert-butyl-1,2,4-triazol-3-yl)-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)methanone.

Molecular Properties

Compound Name(1-tert-butyl-1,2,4-triazol-3-yl)-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)methanone
PubChem CID136544164
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name(1-tert-butyl-1,2,4-triazol-3-yl)-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)methanone
SMILESCC(C)(C)n1cnc(C(=O)N2CCCc3ncccc32)n1
InChIInChI=1S/C15H19N5O/c1-15(2,3)20-10-17-13(18-20)14(21)19-9-5-6-11-12(19)7-4-8-16-11/h4,7-8,10H,5-6,9H2,1-3H3
InChIKeyUPRWTJFOPGQZHE-UHFFFAOYSA-N
XLogP2.02
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3,4-difluorophenyl)-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)methanone
CID 24678454
(1-tert-butyl-1,2,4-triazol-3-yl)-(5,6,7-trifluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 154738968
3,4-dihydro-2H-1,5-naphthyridin-1-yl-(4-methyl-3-pyrrol-1-ylphenyl)methanone
CID 24678563
(2S)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-2-phenoxypropan-1-one
CID 95157678
3,4-dihydro-2H-1,5-naphthyridin-1-yl-[1-(2-phenylethyl)pyrazol-3-yl]methanone
CID 167851932
tert-butyl 2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate
CID 59566496
(3S)-5-(3,4-dihydro-2H-1,5-naphthyridine-1-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide
CID 95290092
3,4-dihydro-2H-1,5-naphthyridin-1-yl-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 138050424
(1-tert-butyl-1,2,4-triazol-3-yl)-[3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 139005059
(E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(2,4-dimethylphenyl)prop-2-en-1-one
CID 24678548
2-(5-acetyl-2-methoxyphenyl)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)ethanone
CID 24678440
3,4-dihydro-2H-1,5-naphthyridin-1-yl-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 24678506

Frequently Asked Questions

What is the IUPAC name of (1-tert-butyl-1,2,4-triazol-3-yl)-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)methanone?
The IUPAC name of (1-tert-butyl-1,2,4-triazol-3-yl)-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)methanone (CID 136544164) is (1-tert-butyl-1,2,4-triazol-3-yl)-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)methanone.
What is the SMILES notation for (1-tert-butyl-1,2,4-triazol-3-yl)-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)methanone?
The canonical SMILES for (1-tert-butyl-1,2,4-triazol-3-yl)-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)methanone is CC(C)(C)n1cnc(C(=O)N2CCCc3ncccc32)n1.
What is the InChIKey of (1-tert-butyl-1,2,4-triazol-3-yl)-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)methanone?
The InChIKey is UPRWTJFOPGQZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-15(2,3)20-10-17-13(18-20)14(21)19-9-5-6-11-12(19)7-4-8-16-11/h4,7-8,10H,5-6,9H2,1-3H3.
What are the key properties of (1-tert-butyl-1,2,4-triazol-3-yl)-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)methanone?
(1-tert-butyl-1,2,4-triazol-3-yl)-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)methanone has a molecular weight of 285.35 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butyl-1,2,4-triazol-3-yl)-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)methanone is sourced from PubChem (CID 136544164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).