(4aS,7aS)-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine

C15H20N6O — CID 155877615

IUPAC(4aS,7aS)-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
SMILESCc1cc(CN2C[C@@H]3OCCN(c4cnccn4)[C@H]3C2)n[nH]1
InChIInChI=1S/C15H20N6O/c1-11-6-12(19-18-11)8-20-9-13-14(10-20)22-5-4-21(13)15-7-16-2-3-17-15/h2-3,6-7,13-14H,4-5,8-10H2,1H3,(H,18,19)/t13-,14-/m0/s1
InChIKeyJPVQJYWPGJEVRX-KBPBESRZSA-N
MW300.37 g/mol
LogP0.60
Rot. Bonds3

About (4aS,7aS)-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine

(4aS,7aS)-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine (PubChem CID 155877615) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is (4aS,7aS)-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine.

Molecular Properties

Compound Name(4aS,7aS)-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
PubChem CID155877615
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name(4aS,7aS)-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
SMILESCc1cc(CN2C[C@@H]3OCCN(c4cnccn4)[C@H]3C2)n[nH]1
InChIInChI=1S/C15H20N6O/c1-11-6-12(19-18-11)8-20-9-13-14(10-20)22-5-4-21(13)15-7-16-2-3-17-15/h2-3,6-7,13-14H,4-5,8-10H2,1H3,(H,18,19)/t13-,14-/m0/s1
InChIKeyJPVQJYWPGJEVRX-KBPBESRZSA-N
XLogP0.60
TPSA70.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4aS,7aS)-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine with MolForge

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Related Compounds

(4aR,7aS)-6-[(4-propan-2-ylphenyl)methyl]-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine;2,2,2-trifluoroacetic acid
CID 155826350
[(4aS,7aS)-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(4-methylthiophen-2-yl)methanone
CID 155877614
(4aR,7aS)-4-(6-methylpyridazin-3-yl)-6-(pyridin-4-ylmethyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97377499
(4aR,7aS)-6-[(4-fluorophenyl)methyl]-4-(6-methylpyridazin-3-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97402861
[(4aS,7aS)-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(6-methoxy-3-pyridinyl)methanone
CID 155877847
5-methyl-3-(pyrrolidin-1-ylmethyl)-1H-pyrazole
CID 126990232
ethane;5-methyl-3-(pyrrolidin-1-ylmethyl)-1H-pyrazole
CID 142930412
7-(ethoxymethyl)-4-pyrazin-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 134078270
(4aS,7aS)-6-[(5-methylthiophen-2-yl)methyl]-4-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 125192146
(4aR,7aS)-6-[(5-methyl-1H-imidazol-4-yl)methyl]-4-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine;2,2,2-trifluoroacetic acid
CID 127022981
2-methyl-6-[4-(pyrazin-2-ylmethyl)morpholin-2-yl]pyridin-4-amine
CID 110113363
(1S,5R)-3-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-azabicyclo[3.2.1]octan-8-amine;dihydrochloride
CID 154906793

Frequently Asked Questions

What is the IUPAC name of (4aS,7aS)-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine?
The IUPAC name of (4aS,7aS)-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine (CID 155877615) is (4aS,7aS)-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine.
What is the SMILES notation for (4aS,7aS)-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine?
The canonical SMILES for (4aS,7aS)-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine is Cc1cc(CN2C[C@@H]3OCCN(c4cnccn4)[C@H]3C2)n[nH]1.
What is the InChIKey of (4aS,7aS)-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine?
The InChIKey is JPVQJYWPGJEVRX-KBPBESRZSA-N. The full InChI is InChI=1S/C15H20N6O/c1-11-6-12(19-18-11)8-20-9-13-14(10-20)22-5-4-21(13)15-7-16-2-3-17-15/h2-3,6-7,13-14H,4-5,8-10H2,1H3,(H,18,19)/t13-,14-/m0/s1.
What are the key properties of (4aS,7aS)-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine?
(4aS,7aS)-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine has a molecular weight of 300.37 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,7aS)-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine is sourced from PubChem (CID 155877615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).