(1-methyl-1,2,4-triazol-3-yl)-[7-(pyrazol-1-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]methanone

C15H20N6O2 — CID 131680535

IUPAC(1-methyl-1,2,4-triazol-3-yl)-[7-(pyrazol-1-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]methanone
SMILESCn1cnc(C(=O)N2CCOC3C(Cn4cccn4)CCC32)n1
InChIInChI=1S/C15H20N6O2/c1-19-10-16-14(18-19)15(22)21-7-8-23-13-11(3-4-12(13)21)9-20-6-2-5-17-20/h2,5-6,10-13H,3-4,7-9H2,1H3
InChIKeySQVIENRFYGHUJQ-UHFFFAOYSA-N
MW316.37 g/mol
LogP0.33
Rot. Bonds3

About (1-methyl-1,2,4-triazol-3-yl)-[7-(pyrazol-1-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]methanone

(1-methyl-1,2,4-triazol-3-yl)-[7-(pyrazol-1-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]methanone (PubChem CID 131680535) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is (1-methyl-1,2,4-triazol-3-yl)-[7-(pyrazol-1-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]methanone.

Molecular Properties

Compound Name(1-methyl-1,2,4-triazol-3-yl)-[7-(pyrazol-1-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]methanone
PubChem CID131680535
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name(1-methyl-1,2,4-triazol-3-yl)-[7-(pyrazol-1-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]methanone
SMILESCn1cnc(C(=O)N2CCOC3C(Cn4cccn4)CCC32)n1
InChIInChI=1S/C15H20N6O2/c1-19-10-16-14(18-19)15(22)21-7-8-23-13-11(3-4-12(13)21)9-20-6-2-5-17-20/h2,5-6,10-13H,3-4,7-9H2,1H3
InChIKeySQVIENRFYGHUJQ-UHFFFAOYSA-N
XLogP0.33
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (1-methyl-1,2,4-triazol-3-yl)-[7-(pyrazol-1-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]methanone with MolForge

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Related Compounds

(1-methyl-1,2,4-triazol-3-yl)-[7-(pyrazol-1-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]methanone;2,2,2-trifluoroacetic acid
CID 155865330
4-[(1-methylimidazol-2-yl)methyl]-7-(pyrazol-1-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine;2,2,2-trifluoroacetic acid
CID 155869460
(4aS,7R,7aR)-4-[(1-methylimidazol-2-yl)methyl]-7-(pyrazol-1-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 97511907
N-1-oxaspiro[4.5]dec-3-yl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 118769601
(4aR,7R,7aR)-4-[(1-methylimidazol-2-yl)methyl]-7-(pyrazol-1-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 124244244
(4aS,7S,7aR)-4-[(1-methylimidazol-2-yl)methyl]-7-(pyrazol-1-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 124244245
(4aR,7S,7aR)-4-[(1-methylimidazol-2-yl)methyl]-7-(pyrazol-1-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 124244246
N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 125155042
N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 125155043
4-[(1-methylimidazol-2-yl)methyl]-7-(pyrazol-1-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 131660351
[(3S,3aS,7aR)-3-(3-pyrazol-1-ylpropoxy)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone
CID 131688686
3-cyclopentyl-5-methyl-N-(2-pyrazol-1-ylethyl)-6,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide
CID 132436045

Frequently Asked Questions

What is the IUPAC name of (1-methyl-1,2,4-triazol-3-yl)-[7-(pyrazol-1-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]methanone?
The IUPAC name of (1-methyl-1,2,4-triazol-3-yl)-[7-(pyrazol-1-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]methanone (CID 131680535) is (1-methyl-1,2,4-triazol-3-yl)-[7-(pyrazol-1-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]methanone.
What is the SMILES notation for (1-methyl-1,2,4-triazol-3-yl)-[7-(pyrazol-1-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]methanone?
The canonical SMILES for (1-methyl-1,2,4-triazol-3-yl)-[7-(pyrazol-1-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]methanone is Cn1cnc(C(=O)N2CCOC3C(Cn4cccn4)CCC32)n1.
What is the InChIKey of (1-methyl-1,2,4-triazol-3-yl)-[7-(pyrazol-1-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]methanone?
The InChIKey is SQVIENRFYGHUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-19-10-16-14(18-19)15(22)21-7-8-23-13-11(3-4-12(13)21)9-20-6-2-5-17-20/h2,5-6,10-13H,3-4,7-9H2,1H3.
What are the key properties of (1-methyl-1,2,4-triazol-3-yl)-[7-(pyrazol-1-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]methanone?
(1-methyl-1,2,4-triazol-3-yl)-[7-(pyrazol-1-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]methanone has a molecular weight of 316.37 g/mol, XLogP of 0.33, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-1,2,4-triazol-3-yl)-[7-(pyrazol-1-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]methanone is sourced from PubChem (CID 131680535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).