(3R)-3-methyl-2-[[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C15H21N5OS — CID 110211302

IUPAC(3R)-3-methyl-2-[[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESC[C@@H]1CN2CCCC2CN1Cc1ccc(Sc2ncn[nH]2)o1
InChIInChI=1S/C15H21N5OS/c1-11-7-19-6-2-3-12(19)8-20(11)9-13-4-5-14(21-13)22-15-16-10-17-18-15/h4-5,10-12H,2-3,6-9H2,1H3,(H,16,17,18)/t11-,12?/m1/s1
InChIKeyUVXMCCQSGADFPI-JHJMLUEUSA-N
MW319.43 g/mol
LogP2.22
Rot. Bonds4

About (3R)-3-methyl-2-[[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

(3R)-3-methyl-2-[[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 110211302) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is (3R)-3-methyl-2-[[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name(3R)-3-methyl-2-[[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID110211302
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name(3R)-3-methyl-2-[[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESC[C@@H]1CN2CCCC2CN1Cc1ccc(Sc2ncn[nH]2)o1
InChIInChI=1S/C15H21N5OS/c1-11-7-19-6-2-3-12(19)8-20(11)9-13-4-5-14(21-13)22-15-16-10-17-18-15/h4-5,10-12H,2-3,6-9H2,1H3,(H,16,17,18)/t11-,12?/m1/s1
InChIKeyUVXMCCQSGADFPI-JHJMLUEUSA-N
XLogP2.22
TPSA61.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-3-methyl-2-[[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,8aR)-2-[(5-bromofuran-2-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 95792117
3-methyl-2-[(5-methylfuran-2-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926014
(3R,8aR)-3-methyl-2-(thiophen-2-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 95792153
trimethyl-[4-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]phenyl]silane
CID 103438477
[5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,2-oxazol-3-yl]methanamine
CID 79945970
N-methyl-1-[2-methyl-5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]furan-3-yl]methanamine
CID 79945685
(3S)-2-[(4-chlorophenyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 110211166
(3R,8aR)-3-methyl-2-[(5-methylthiophen-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 95792176
N-methyl-1-[4-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]phenyl]methanamine
CID 79945683
2-[(6-chloro-2-pyridinyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79038404
(3S)-2-[(2,6-difluorophenyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 110211191
N-methyl-1-[2-methyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]furan-3-yl]methanamine
CID 79917859

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-2-[[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of (3R)-3-methyl-2-[[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 110211302) is (3R)-3-methyl-2-[[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for (3R)-3-methyl-2-[[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for (3R)-3-methyl-2-[[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is C[C@@H]1CN2CCCC2CN1Cc1ccc(Sc2ncn[nH]2)o1.
What is the InChIKey of (3R)-3-methyl-2-[[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is UVXMCCQSGADFPI-JHJMLUEUSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-11-7-19-6-2-3-12(19)8-20(11)9-13-4-5-14(21-13)22-15-16-10-17-18-15/h4-5,10-12H,2-3,6-9H2,1H3,(H,16,17,18)/t11-,12?/m1/s1.
What are the key properties of (3R)-3-methyl-2-[[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
(3R)-3-methyl-2-[[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 319.43 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-2-[[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 110211302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).