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

C14H18N6O2 — CID 164688290

IUPAC[2-(aminomethyl)-1,3-oxazol-4-yl]-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
SMILESC[C@@H]1c2nc(C3CC3)nn2CCN1C(=O)c1coc(CN)n1
InChIInChI=1S/C14H18N6O2/c1-8-13-17-12(9-2-3-9)18-20(13)5-4-19(8)14(21)10-7-22-11(6-15)16-10/h7-9H,2-6,15H2,1H3/t8-/m1/s1
InChIKeyNFTPNIKHRWXYRM-MRVPVSSYSA-N
MW302.34 g/mol
LogP0.82
Rot. Bonds3

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

[2-(aminomethyl)-1,3-oxazol-4-yl]-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone (PubChem CID 164688290) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is [2-(aminomethyl)-1,3-oxazol-4-yl]-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-1,3-oxazol-4-yl]-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
PubChem CID164688290
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name[2-(aminomethyl)-1,3-oxazol-4-yl]-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
SMILESC[C@@H]1c2nc(C3CC3)nn2CCN1C(=O)c1coc(CN)n1
InChIInChI=1S/C14H18N6O2/c1-8-13-17-12(9-2-3-9)18-20(13)5-4-19(8)14(21)10-7-22-11(6-15)16-10/h7-9H,2-6,15H2,1H3/t8-/m1/s1
InChIKeyNFTPNIKHRWXYRM-MRVPVSSYSA-N
XLogP0.82
TPSA103.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-cyclopentyl-1-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]ethanone
CID 164693142
[2-(2-aminoethoxy)-5-fluorophenyl]-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
CID 165424540
(2-anilinopyrimidin-5-yl)-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
CID 164690357
[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-([1,2,4]triazolo[4,3-a]pyridin-8-yl)methanone
CID 164695473
7-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-3-methylquinazolin-4-one
CID 164691690
3-[3-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 165422773
[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1,3-thiazol-4-yl)methanone
CID 164698895
[2-(aminomethyl)-1,3-oxazol-4-yl]-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 134708851
(2S)-1-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one
CID 165425780
(2R)-2-amino-1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-phenylethanone
CID 165420164
[2-(aminomethyl)-1,3-oxazol-4-yl]-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170512082
(6-amino-2-pyridinyl)-[(8R)-8-methyl-2-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
CID 164692446

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-1,3-oxazol-4-yl]-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone?
The IUPAC name of [2-(aminomethyl)-1,3-oxazol-4-yl]-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone (CID 164688290) is [2-(aminomethyl)-1,3-oxazol-4-yl]-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone.
What is the SMILES notation for [2-(aminomethyl)-1,3-oxazol-4-yl]-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone?
The canonical SMILES for [2-(aminomethyl)-1,3-oxazol-4-yl]-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone is C[C@@H]1c2nc(C3CC3)nn2CCN1C(=O)c1coc(CN)n1.
What is the InChIKey of [2-(aminomethyl)-1,3-oxazol-4-yl]-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone?
The InChIKey is NFTPNIKHRWXYRM-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-8-13-17-12(9-2-3-9)18-20(13)5-4-19(8)14(21)10-7-22-11(6-15)16-10/h7-9H,2-6,15H2,1H3/t8-/m1/s1.
What are the key properties of [2-(aminomethyl)-1,3-oxazol-4-yl]-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone?
[2-(aminomethyl)-1,3-oxazol-4-yl]-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone has a molecular weight of 302.34 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-1,3-oxazol-4-yl]-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 164688290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).