[7-[[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanamine

C15H18ClF2N5O2 — CID 167835590

IUPAC[7-[[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanamine
SMILESCOc1cc(CN2CCn3c(CN)nnc3C2)cc(Cl)c1OC(F)F
InChIInChI=1S/C15H18ClF2N5O2/c1-24-11-5-9(4-10(16)14(11)25-15(17)18)7-22-2-3-23-12(6-19)20-21-13(23)8-22/h4-5,15H,2-3,6-8,19H2,1H3
InChIKeyACSQFHNNODPTMV-UHFFFAOYSA-N
MW373.79 g/mol
LogP2.02
Rot. Bonds6

About [7-[[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanamine

[7-[[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanamine (PubChem CID 167835590) has the molecular formula C15H18ClF2N5O2 and a molecular weight of 373.79 g/mol. Its IUPAC name is [7-[[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanamine.

Molecular Properties

Compound Name[7-[[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanamine
PubChem CID167835590
Molecular FormulaC15H18ClF2N5O2
Molecular Weight373.79 g/mol
Exact Mass373.11
IUPAC Name[7-[[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanamine
SMILESCOc1cc(CN2CCn3c(CN)nnc3C2)cc(Cl)c1OC(F)F
InChIInChI=1S/C15H18ClF2N5O2/c1-24-11-5-9(4-10(16)14(11)25-15(17)18)7-22-2-3-23-12(6-19)20-21-13(23)8-22/h4-5,15H,2-3,6-8,19H2,1H3
InChIKeyACSQFHNNODPTMV-UHFFFAOYSA-N
XLogP2.02
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.79
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [7-[[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanamine with MolForge

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Related Compounds

2-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]ethanamine
CID 60906197
(3R)-1-[[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]methyl]-3-[5-(trifluoromethyl)pyrazol-1-yl]piperidine
CID 97341312
[3,5-dichloro-4-(difluoromethoxy)phenyl]methanamine
CID 121228247
3-(methoxymethyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 97405234
[3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]methanamine
CID 43622273
(9aR)-2-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 97157855
2-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]ethanamine;hydrochloride
CID 146049973
1-[[3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]methyl]-3,3-dimethylpiperidin-4-amine
CID 120781565
2-[4-[(3-aminoazetidin-1-yl)methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 65244504
1-propan-2-yl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 828691
4-[(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]aniline
CID 90103594
2-[4-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 45189192

Frequently Asked Questions

What is the IUPAC name of [7-[[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanamine?
The IUPAC name of [7-[[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanamine (CID 167835590) is [7-[[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanamine.
What is the SMILES notation for [7-[[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanamine?
The canonical SMILES for [7-[[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanamine is COc1cc(CN2CCn3c(CN)nnc3C2)cc(Cl)c1OC(F)F.
What is the InChIKey of [7-[[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanamine?
The InChIKey is ACSQFHNNODPTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClF2N5O2/c1-24-11-5-9(4-10(16)14(11)25-15(17)18)7-22-2-3-23-12(6-19)20-21-13(23)8-22/h4-5,15H,2-3,6-8,19H2,1H3.
What are the key properties of [7-[[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanamine?
[7-[[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanamine has a molecular weight of 373.79 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanamine is sourced from PubChem (CID 167835590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).