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

C17H23N5 — CID 110211314

IUPAC(3R)-3-methyl-2-[(5-phenyl-2H-triazol-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESC[C@@H]1CN2CCCC2CN1Cc1n[nH]nc1-c1ccccc1
InChIInChI=1S/C17H23N5/c1-13-10-21-9-5-8-15(21)11-22(13)12-16-17(19-20-18-16)14-6-3-2-4-7-14/h2-4,6-7,13,15H,5,8-12H2,1H3,(H,18,19,20)/t13-,15?/m1/s1
InChIKeyWUUMZCWPQSDLDY-AFYYWNPRSA-N
MW297.41 g/mol
LogP2.14
Rot. Bonds3

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

(3R)-3-methyl-2-[(5-phenyl-2H-triazol-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 110211314) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is (3R)-3-methyl-2-[(5-phenyl-2H-triazol-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name(3R)-3-methyl-2-[(5-phenyl-2H-triazol-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID110211314
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name(3R)-3-methyl-2-[(5-phenyl-2H-triazol-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESC[C@@H]1CN2CCCC2CN1Cc1n[nH]nc1-c1ccccc1
InChIInChI=1S/C17H23N5/c1-13-10-21-9-5-8-15(21)11-22(13)12-16-17(19-20-18-16)14-6-3-2-4-7-14/h2-4,6-7,13,15H,5,8-12H2,1H3,(H,18,19,20)/t13-,15?/m1/s1
InChIKeyWUUMZCWPQSDLDY-AFYYWNPRSA-N
XLogP2.14
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

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
(3R)-2-[(2-methoxyphenyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 110211253
(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-(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
3-methyl-2-(3-phenylbutyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939714
[2-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]phenyl]methanamine
CID 79924464
6-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]pyridine-2-carboxylic acid
CID 106904232
2-[4-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]phenyl]acetic acid
CID 105346114
[5-chloro-6-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-2-pyridinyl]hydrazine
CID 79946279
1-amino-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylpropan-2-ol
CID 79935803

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-2-[(5-phenyl-2H-triazol-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of (3R)-3-methyl-2-[(5-phenyl-2H-triazol-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 110211314) is (3R)-3-methyl-2-[(5-phenyl-2H-triazol-4-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-phenyl-2H-triazol-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for (3R)-3-methyl-2-[(5-phenyl-2H-triazol-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is C[C@@H]1CN2CCCC2CN1Cc1n[nH]nc1-c1ccccc1.
What is the InChIKey of (3R)-3-methyl-2-[(5-phenyl-2H-triazol-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is WUUMZCWPQSDLDY-AFYYWNPRSA-N. The full InChI is InChI=1S/C17H23N5/c1-13-10-21-9-5-8-15(21)11-22(13)12-16-17(19-20-18-16)14-6-3-2-4-7-14/h2-4,6-7,13,15H,5,8-12H2,1H3,(H,18,19,20)/t13-,15?/m1/s1.
What are the key properties of (3R)-3-methyl-2-[(5-phenyl-2H-triazol-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
(3R)-3-methyl-2-[(5-phenyl-2H-triazol-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 297.41 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-2-[(5-phenyl-2H-triazol-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 110211314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).