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

C13H18N4O — CID 95325981

IUPAC(6S)-2-methyl-N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCc1nc2n(n1)C[C@@H](NCc1ccc(C)o1)CC2
InChIInChI=1S/C13H18N4O/c1-9-3-5-12(18-9)7-14-11-4-6-13-15-10(2)16-17(13)8-11/h3,5,11,14H,4,6-8H2,1-2H3/t11-/m0/s1
InChIKeyVKFNYQSEACADGP-NSHDSACASA-N
MW246.31 g/mol
LogP1.59
Rot. Bonds3

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

(6S)-2-methyl-N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (PubChem CID 95325981) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is (6S)-2-methyl-N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound Name(6S)-2-methyl-N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
PubChem CID95325981
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name(6S)-2-methyl-N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCc1nc2n(n1)C[C@@H](NCc1ccc(C)o1)CC2
InChIInChI=1S/C13H18N4O/c1-9-3-5-12(18-9)7-14-11-4-6-13-15-10(2)16-17(13)8-11/h3,5,11,14H,4,6-8H2,1-2H3/t11-/m0/s1
InChIKeyVKFNYQSEACADGP-NSHDSACASA-N
XLogP1.59
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6S)-2-methyl-N-[(5-methylfuran-2-yl)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)-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
(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-[(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
(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
(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
2-methyl-N-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 115616214
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
(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
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
N-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 56781309
(2S)-1-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-3-phenoxypropan-2-ol
CID 95347987
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

Frequently Asked Questions

What is the IUPAC name of (6S)-2-methyl-N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The IUPAC name of (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) is (6S)-2-methyl-N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.
What is the SMILES notation for (6S)-2-methyl-N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The canonical SMILES for (6S)-2-methyl-N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is Cc1nc2n(n1)C[C@@H](NCc1ccc(C)o1)CC2.
What is the InChIKey of (6S)-2-methyl-N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The InChIKey is VKFNYQSEACADGP-NSHDSACASA-N. The full InChI is InChI=1S/C13H18N4O/c1-9-3-5-12(18-9)7-14-11-4-6-13-15-10(2)16-17(13)8-11/h3,5,11,14H,4,6-8H2,1-2H3/t11-/m0/s1.
What are the key properties of (6S)-2-methyl-N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
(6S)-2-methyl-N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine has a molecular weight of 246.31 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-methyl-N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 95325981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).