(4-methylphenyl)-[4-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]methanone

C19H21N5O — CID 53203627

IUPAC(4-methylphenyl)-[4-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(c3nnc4cccc(C)n34)CC2)cc1
InChIInChI=1S/C19H21N5O/c1-14-6-8-16(9-7-14)18(25)22-10-12-23(13-11-22)19-21-20-17-5-3-4-15(2)24(17)19/h3-9H,10-13H2,1-2H3
InChIKeyDVRRWBULMKIHGT-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.31
Rot. Bonds2

About (4-methylphenyl)-[4-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]methanone

(4-methylphenyl)-[4-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]methanone (PubChem CID 53203627) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is (4-methylphenyl)-[4-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylphenyl)-[4-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]methanone
PubChem CID53203627
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name(4-methylphenyl)-[4-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(c3nnc4cccc(C)n34)CC2)cc1
InChIInChI=1S/C19H21N5O/c1-14-6-8-16(9-7-14)18(25)22-10-12-23(13-11-22)19-21-20-17-5-3-4-15(2)24(17)19/h3-9H,10-13H2,1-2H3
InChIKeyDVRRWBULMKIHGT-UHFFFAOYSA-N
XLogP2.31
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxyphenyl)-[4-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]methanone
CID 53203471
(3-methoxy-4-methylphenyl)-[4-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]methanone
CID 53203626
(3-fluorophenyl)-[4-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]methanone
CID 53203474
[4-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 53203643
(4-methylphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060278
(4-methylphenyl)-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798290
(4-aminopiperazin-1-yl)-(4-methylphenyl)methanone
CID 82285874
4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051711
(4-methylphenyl)-[4-([1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)piperazin-1-yl]methanone
CID 127043362
[4-(3-ethoxyphenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 129043282
[4-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl]-phenylmethanone
CID 46045008
[4-(3,5-dichlorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 113080335

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[4-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (4-methylphenyl)-[4-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]methanone (CID 53203627) is (4-methylphenyl)-[4-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-methylphenyl)-[4-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (4-methylphenyl)-[4-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]methanone is Cc1ccc(C(=O)N2CCN(c3nnc4cccc(C)n34)CC2)cc1.
What is the InChIKey of (4-methylphenyl)-[4-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]methanone?
The InChIKey is DVRRWBULMKIHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-14-6-8-16(9-7-14)18(25)22-10-12-23(13-11-22)19-21-20-17-5-3-4-15(2)24(17)19/h3-9H,10-13H2,1-2H3.
What are the key properties of (4-methylphenyl)-[4-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]methanone?
(4-methylphenyl)-[4-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]methanone has a molecular weight of 335.41 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[4-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 53203627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).