N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine

C19H21FN4O — CID 56780979

IUPACN-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine
SMILESCc1nnc2n1CC(CNCc1ccc(-c3ccccc3F)o1)CC2
InChIInChI=1S/C19H21FN4O/c1-13-22-23-19-9-6-14(12-24(13)19)10-21-11-15-7-8-18(25-15)16-4-2-3-5-17(16)20/h2-5,7-8,14,21H,6,9-12H2,1H3
InChIKeyJHBVOPIHZNAUEJ-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.34
Rot. Bonds5

About N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine

N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine (PubChem CID 56780979) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine.

Molecular Properties

Compound NameN-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine
PubChem CID56780979
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC NameN-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine
SMILESCc1nnc2n1CC(CNCc1ccc(-c3ccccc3F)o1)CC2
InChIInChI=1S/C19H21FN4O/c1-13-22-23-19-9-6-14(12-24(13)19)10-21-11-15-7-8-18(25-15)16-4-2-3-5-17(16)20/h2-5,7-8,14,21H,6,9-12H2,1H3
InChIKeyJHBVOPIHZNAUEJ-UHFFFAOYSA-N
XLogP3.34
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine with MolForge

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Related Compounds

5-(4-Fluorophenyl)-7-(furan-2-yl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 2948735
5-(4-fluorophenyl)-N-({5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}methyl)furan-2-carboxamide
CID 45859661
7-N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-5-N-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
CID 127036845
(R)-(4-fluorophenyl)(8-methyl-3-(5-methylfuran-2-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)methanone
CID 78425907
(R)-(8-methyl-3-(5-methylfuran-2-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)(2,3,4,5-tetrafluorophenyl)methanone
CID 86274364
(R)-(3,4-difluorophenyl)(8-methyl-3-(5-methylfuran-2-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)methanone
CID 86274365
(R)-(8-methyl-3-(5-methylfuran-2-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)(2,3,4-trifluorophenyl)methanone
CID 86274593
(R)-(8-methyl-3-(5-methylfuran-2-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)(3,4,5-trifluorophenyl)methanone
CID 86274594
2,5-difluoro-N-[1-[7-[(5-methylfuran-2-yl)methyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]benzamide
CID 45166336
4-[5-(4-Fluorophenyl)-4H-1,2,4-triazol-3-YL]-1-[(furan-2-YL)methyl]piperidine
CID 53192333
1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]ethanamine
CID 53515785
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 53571538

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine?
The IUPAC name of N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine (CID 56780979) is N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine.
What is the SMILES notation for N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine?
The canonical SMILES for N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine is Cc1nnc2n1CC(CNCc1ccc(-c3ccccc3F)o1)CC2.
What is the InChIKey of N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine?
The InChIKey is JHBVOPIHZNAUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/c1-13-22-23-19-9-6-14(12-24(13)19)10-21-11-15-7-8-18(25-15)16-4-2-3-5-17(16)20/h2-5,7-8,14,21H,6,9-12H2,1H3.
What are the key properties of N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine?
N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine has a molecular weight of 340.40 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine is sourced from PubChem (CID 56780979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).