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

C18H19FN4O — CID 95325998

IUPAC(6S)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCc1nc2n(n1)C[C@@H](NCc1ccc(-c3ccc(F)cc3)o1)CC2
InChIInChI=1S/C18H19FN4O/c1-12-21-18-9-6-15(11-23(18)22-12)20-10-16-7-8-17(24-16)13-2-4-14(19)5-3-13/h2-5,7-8,15,20H,6,9-11H2,1H3/t15-/m0/s1
InChIKeyVENVRJRNNYHXCE-HNNXBMFYSA-N
MW326.38 g/mol
LogP3.09
Rot. Bonds4

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

(6S)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (PubChem CID 95325998) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is (6S)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound Name(6S)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
PubChem CID95325998
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC Name(6S)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCc1nc2n(n1)C[C@@H](NCc1ccc(-c3ccc(F)cc3)o1)CC2
InChIInChI=1S/C18H19FN4O/c1-12-21-18-9-6-15(11-23(18)22-12)20-10-16-7-8-17(24-16)13-2-4-14(19)5-3-13/h2-5,7-8,15,20H,6,9-11H2,1H3/t15-/m0/s1
InChIKeyVENVRJRNNYHXCE-HNNXBMFYSA-N
XLogP3.09
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

(6S)-2-methyl-N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95325981
N-[(5-phenylfuran-2-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 119127567
(6R)-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95758135
(6R)-2-methyl-N-[(5-methylthiophen-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95344650
(6R)-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95609048
N-[(5-phenylfuran-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 119124106
(6R)-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95346870
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 119127535
2-methyl-N-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 115616214
N-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazol-4-yl]methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 119109571
(6R)-2-methyl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95346814
(6S)-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95346072

Frequently Asked Questions

What is the IUPAC name of (6S)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The IUPAC name of (6S)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (CID 95325998) is (6S)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.
What is the SMILES notation for (6S)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The canonical SMILES for (6S)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is Cc1nc2n(n1)C[C@@H](NCc1ccc(-c3ccc(F)cc3)o1)CC2.
What is the InChIKey of (6S)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The InChIKey is VENVRJRNNYHXCE-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19FN4O/c1-12-21-18-9-6-15(11-23(18)22-12)20-10-16-7-8-17(24-16)13-2-4-14(19)5-3-13/h2-5,7-8,15,20H,6,9-11H2,1H3/t15-/m0/s1.
What are the key properties of (6S)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
(6S)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine has a molecular weight of 326.38 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 95325998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).