1-methyl-3-[5-methyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydroquinolin-2-one

C19H21N5O — CID 74244216

IUPAC1-methyl-3-[5-methyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydroquinolin-2-one
SMILESCc1cc(-n2nc(C)nc2-c2cc3c(n(C)c2=O)CCCC3)ccn1
InChIInChI=1S/C19H21N5O/c1-12-10-15(8-9-20-12)24-18(21-13(2)22-24)16-11-14-6-4-5-7-17(14)23(3)19(16)25/h8-11H,4-7H2,1-3H3
InChIKeyUXKJEDBGCJDKBQ-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.52
Rot. Bonds2

About 1-methyl-3-[5-methyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydroquinolin-2-one

1-methyl-3-[5-methyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 74244216) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-methyl-3-[5-methyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-3-[5-methyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID74244216
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name1-methyl-3-[5-methyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydroquinolin-2-one
SMILESCc1cc(-n2nc(C)nc2-c2cc3c(n(C)c2=O)CCCC3)ccn1
InChIInChI=1S/C19H21N5O/c1-12-10-15(8-9-20-12)24-18(21-13(2)22-24)16-11-14-6-4-5-7-17(14)23(3)19(16)25/h8-11H,4-7H2,1-3H3
InChIKeyUXKJEDBGCJDKBQ-UHFFFAOYSA-N
XLogP2.52
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-methyl-3-[5-methyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydroquinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

4-[5-(2,3-difluoro-6-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]-2-methylpyridine
CID 74247116
1-(2-methyl-4-pyridinyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 123591511
1-methyl-3-(4-propyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroquinolin-2-one
CID 82522622
5-[5-methyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-3-propan-2-yl-1,2-oxazole
CID 50950296
3-[4-(2-methoxyethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82523315
1-methyl-3-[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]-5,6,7,8-tetrahydroquinolin-2-one
CID 82522618
1-(2-methyl-4-pyridinyl)pyrrolidin-2-one
CID 70517179
1-cyclopropyl-3-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroquinolin-2-one
CID 82522440
1-(2-methyl-4-pyridinyl)-4,5,6,7-tetrahydroindol-4-ol
CID 79241304
ethyl 1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate
CID 97036567
1-(2-methyl-4-pyridinyl)imidazolidin-2-one
CID 170628851
1-methyl-3-(sulfanylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82523341

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[5-methyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 1-methyl-3-[5-methyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydroquinolin-2-one (CID 74244216) is 1-methyl-3-[5-methyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 1-methyl-3-[5-methyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 1-methyl-3-[5-methyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydroquinolin-2-one is Cc1cc(-n2nc(C)nc2-c2cc3c(n(C)c2=O)CCCC3)ccn1.
What is the InChIKey of 1-methyl-3-[5-methyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is UXKJEDBGCJDKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-12-10-15(8-9-20-12)24-18(21-13(2)22-24)16-11-14-6-4-5-7-17(14)23(3)19(16)25/h8-11H,4-7H2,1-3H3.
What are the key properties of 1-methyl-3-[5-methyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydroquinolin-2-one?
1-methyl-3-[5-methyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 335.41 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[5-methyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 74244216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).