(6S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

C15H21N5O — CID 95329007

IUPAC(6S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCOc1c(C)cnc(CN[C@H]2CCc3ncnn3C2)c1C
InChIInChI=1S/C15H21N5O/c1-10-6-17-13(11(2)15(10)21-3)7-16-12-4-5-14-18-9-19-20(14)8-12/h6,9,12,16H,4-5,7-8H2,1-3H3/t12-/m0/s1
InChIKeyBOIFPGCVHUQGEI-LBPRGKRZSA-N
MW287.37 g/mol
LogP1.40
Rot. Bonds4

About (6S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

(6S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (PubChem CID 95329007) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is (6S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound Name(6S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
PubChem CID95329007
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name(6S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCOc1c(C)cnc(CN[C@H]2CCc3ncnn3C2)c1C
InChIInChI=1S/C15H21N5O/c1-10-6-17-13(11(2)15(10)21-3)7-16-12-4-5-14-18-9-19-20(14)8-12/h6,9,12,16H,4-5,7-8H2,1-3H3/t12-/m0/s1
InChIKeyBOIFPGCVHUQGEI-LBPRGKRZSA-N
XLogP1.40
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (6S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[(4-methoxy-3-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 86893855
N-(cyclopropylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 131002726
N-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 130678390
N-(1,3-thiazol-5-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 115732375
(6S)-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95291259
N-(1-methoxybutan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 115889494
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,3-dimethylpiperidin-4-amine
CID 114503407
(2S)-1-(4-methoxyphenoxy)-3-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-2-ol
CID 95323235
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylcyclopentan-1-amine
CID 63278062
N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 119127514
(6R)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95314631
(6S)-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95314021

Frequently Asked Questions

What is the IUPAC name of (6S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The IUPAC name of (6S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (CID 95329007) is (6S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.
What is the SMILES notation for (6S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The canonical SMILES for (6S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is COc1c(C)cnc(CN[C@H]2CCc3ncnn3C2)c1C.
What is the InChIKey of (6S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The InChIKey is BOIFPGCVHUQGEI-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N5O/c1-10-6-17-13(11(2)15(10)21-3)7-16-12-4-5-14-18-9-19-20(14)8-12/h6,9,12,16H,4-5,7-8H2,1-3H3/t12-/m0/s1.
What are the key properties of (6S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
(6S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine has a molecular weight of 287.37 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 95329007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).