1-adamantyl-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone

C17H24N4O — CID 110722452

IUPAC1-adamantyl-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESCc1nnc2n1CCN(C(=O)C13CC4CC(CC(C4)C1)C3)C2
InChIInChI=1S/C17H24N4O/c1-11-18-19-15-10-20(2-3-21(11)15)16(22)17-7-12-4-13(8-17)6-14(5-12)9-17/h12-14H,2-10H2,1H3
InChIKeyVGOSVIDAOMMDAT-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.15
Rot. Bonds1

About 1-adamantyl-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone

1-adamantyl-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (PubChem CID 110722452) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-adamantyl-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.

Molecular Properties

Compound Name1-adamantyl-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
PubChem CID110722452
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name1-adamantyl-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESCc1nnc2n1CCN(C(=O)C13CC4CC(CC(C4)C1)C3)C2
InChIInChI=1S/C17H24N4O/c1-11-18-19-15-10-20(2-3-21(11)15)16(22)17-7-12-4-13(8-17)6-14(5-12)9-17/h12-14H,2-10H2,1H3
InChIKeyVGOSVIDAOMMDAT-UHFFFAOYSA-N
XLogP2.15
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one
CID 59440887
methyl 4-(adamantane-1-carbonyl)piperazine-1-carboxylate
CID 110365670
(4-methylpiperazin-1-yl)-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone
CID 7471137
1-adamantyl(azepan-1-yl)methanone
CID 2838808
(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone
CID 95287909
1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentan-1-one
CID 110722392
1-adamantyl-(4-aminopiperidin-1-yl)methanone;hydrochloride
CID 110204181
1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-chloropropan-1-one
CID 108570247
(3-fluorophenyl)-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 53015177
[4-[(3S,6S)-tricyclo[4.3.1.13,8]undecane-1-carbonyl]piperazin-1-yl]-[(1R,8R)-3-tricyclo[4.3.1.13,8]undecanyl]methanone
CID 98129534
1-adamantyl-[4-(3,4-dimethylphenyl)piperazin-1-yl]methanone
CID 2941646
1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 110365770

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The IUPAC name of 1-adamantyl-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (CID 110722452) is 1-adamantyl-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.
What is the SMILES notation for 1-adamantyl-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The canonical SMILES for 1-adamantyl-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is Cc1nnc2n1CCN(C(=O)C13CC4CC(CC(C4)C1)C3)C2.
What is the InChIKey of 1-adamantyl-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The InChIKey is VGOSVIDAOMMDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-11-18-19-15-10-20(2-3-21(11)15)16(22)17-7-12-4-13(8-17)6-14(5-12)9-17/h12-14H,2-10H2,1H3.
What are the key properties of 1-adamantyl-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
1-adamantyl-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone has a molecular weight of 300.41 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is sourced from PubChem (CID 110722452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).