(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]methanone

C19H21N5O — CID 124889362

IUPAC(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]methanone
SMILESCc1nc2nccc(C(=O)N3c4ccccc4[C@@H](C)CC3(C)C)n2n1
InChIInChI=1S/C19H21N5O/c1-12-11-19(3,4)23(15-8-6-5-7-14(12)15)17(25)16-9-10-20-18-21-13(2)22-24(16)18/h5-10,12H,11H2,1-4H3/t12-/m0/s1
InChIKeyXJWZTSKCIMGVFW-LBPRGKRZSA-N
MW335.41 g/mol
LogP3.37
Rot. Bonds1

About (2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]methanone

(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]methanone (PubChem CID 124889362) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is (2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]methanone.

Molecular Properties

Compound Name(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]methanone
PubChem CID124889362
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]methanone
SMILESCc1nc2nccc(C(=O)N3c4ccccc4[C@@H](C)CC3(C)C)n2n1
InChIInChI=1S/C19H21N5O/c1-12-11-19(3,4)23(15-8-6-5-7-14(12)15)17(25)16-9-10-20-18-21-13(2)22-24(16)18/h5-10,12H,11H2,1-4H3/t12-/m0/s1
InChIKeyXJWZTSKCIMGVFW-LBPRGKRZSA-N
XLogP3.37
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]methanone?
The IUPAC name of (2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]methanone (CID 124889362) is (2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]methanone.
What is the SMILES notation for (2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]methanone?
The canonical SMILES for (2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]methanone is Cc1nc2nccc(C(=O)N3c4ccccc4[C@@H](C)CC3(C)C)n2n1.
What is the InChIKey of (2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]methanone?
The InChIKey is XJWZTSKCIMGVFW-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H21N5O/c1-12-11-19(3,4)23(15-8-6-5-7-14(12)15)17(25)16-9-10-20-18-21-13(2)22-24(16)18/h5-10,12H,11H2,1-4H3/t12-/m0/s1.
What are the key properties of (2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]methanone?
(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]methanone has a molecular weight of 335.41 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]methanone is sourced from PubChem (CID 124889362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).