N-methyl-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C19H25N5O — CID 95287916

IUPACN-methyl-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCc1nnc2n1CCN(CC(=O)N(C)[C@@H]1CCCc3ccccc31)C2
InChIInChI=1S/C19H25N5O/c1-14-20-21-18-12-23(10-11-24(14)18)13-19(25)22(2)17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,17H,5,7,9-13H2,1-2H3/t17-/m1/s1
InChIKeyYILOEYZJLVOINH-QGZVFWFLSA-N
MW339.44 g/mol
LogP1.94
Rot. Bonds3

About N-methyl-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

N-methyl-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 95287916) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is N-methyl-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID95287916
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC NameN-methyl-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCc1nnc2n1CCN(CC(=O)N(C)[C@@H]1CCCc3ccccc31)C2
InChIInChI=1S/C19H25N5O/c1-14-20-21-18-12-23(10-11-24(14)18)13-19(25)22(2)17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,17H,5,7,9-13H2,1-2H3/t17-/m1/s1
InChIKeyYILOEYZJLVOINH-QGZVFWFLSA-N
XLogP1.94
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 46527824
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9346528
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9347111
2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 95289244
2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 111113798
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 60511940
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride
CID 120775346
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 39976733
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 46809760
2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9348705
2-(2,5-dimethylmorpholin-4-yl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 75808665
N,3-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 94823990

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of N-methyl-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 95287916) is N-methyl-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for N-methyl-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is Cc1nnc2n1CCN(CC(=O)N(C)[C@@H]1CCCc3ccccc31)C2.
What is the InChIKey of N-methyl-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is YILOEYZJLVOINH-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25N5O/c1-14-20-21-18-12-23(10-11-24(14)18)13-19(25)22(2)17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,17H,5,7,9-13H2,1-2H3/t17-/m1/s1.
What are the key properties of N-methyl-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
N-methyl-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 339.44 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 95287916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).