7-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine

C17H20N6O — CID 56887902

IUPAC7-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESCOc1ccc(CN2CCn3cncc3C2)cc1Cn1cncn1
InChIInChI=1S/C17H20N6O/c1-24-17-3-2-14(6-15(17)9-23-13-19-11-20-23)8-21-4-5-22-12-18-7-16(22)10-21/h2-3,6-7,11-13H,4-5,8-10H2,1H3
InChIKeyCKYTXZYTTUIDLI-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.55
Rot. Bonds5

About 7-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine

7-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (PubChem CID 56887902) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 7-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name7-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
PubChem CID56887902
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name7-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESCOc1ccc(CN2CCn3cncc3C2)cc1Cn1cncn1
InChIInChI=1S/C17H20N6O/c1-24-17-3-2-14(6-15(17)9-23-13-19-11-20-23)8-21-4-5-22-12-18-7-16(22)10-21/h2-3,6-7,11-13H,4-5,8-10H2,1H3
InChIKeyCKYTXZYTTUIDLI-UHFFFAOYSA-N
XLogP1.55
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
CID 91793001
1-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-4-piperidin-4-ylpiperidine
CID 146040890
[2-methoxy-5-(1,2,4-triazol-1-ylmethyl)phenyl]methanamine
CID 65338671
3-[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]propan-1-amine
CID 170867990
3-[1-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidin-4-yl]-1,2,4-oxadiazole
CID 74240465
1-[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]ethanamine
CID 54927768
[1-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 131952432
N-(furan-3-ylmethyl)-1-[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]-N-methylmethanamine
CID 91796661
[(3S)-1-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 25450432
1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 56809976
N-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 91769308
N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-1-[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methanamine
CID 131909526

Frequently Asked Questions

What is the IUPAC name of 7-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The IUPAC name of 7-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (CID 56887902) is 7-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.
What is the SMILES notation for 7-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The canonical SMILES for 7-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is COc1ccc(CN2CCn3cncc3C2)cc1Cn1cncn1.
What is the InChIKey of 7-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The InChIKey is CKYTXZYTTUIDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-24-17-3-2-14(6-15(17)9-23-13-19-11-20-23)8-21-4-5-22-12-18-7-16(22)10-21/h2-3,6-7,11-13H,4-5,8-10H2,1H3.
What are the key properties of 7-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
7-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine has a molecular weight of 324.39 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is sourced from PubChem (CID 56887902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).