(8S)-N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine

C15H25N5O — CID 97233358

IUPAC(8S)-N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCOCc1nc2n(n1)CCC[C@@H]2N[C@H]1CCN(C2CC2)C1
InChIInChI=1S/C15H25N5O/c1-21-10-14-17-15-13(3-2-7-20(15)18-14)16-11-6-8-19(9-11)12-4-5-12/h11-13,16H,2-10H2,1H3/t11-,13-/m0/s1
InChIKeyIQFPQVSJNAGNIU-AAEUAGOBSA-N
MW291.40 g/mol
LogP1.09
Rot. Bonds5

About (8S)-N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine

(8S)-N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (PubChem CID 97233358) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is (8S)-N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine.

Molecular Properties

Compound Name(8S)-N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
PubChem CID97233358
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name(8S)-N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCOCc1nc2n(n1)CCC[C@@H]2N[C@H]1CCN(C2CC2)C1
InChIInChI=1S/C15H25N5O/c1-21-10-14-17-15-13(3-2-7-20(15)18-14)16-11-6-8-19(9-11)12-4-5-12/h11-13,16H,2-10H2,1H3/t11-,13-/m0/s1
InChIKeyIQFPQVSJNAGNIU-AAEUAGOBSA-N
XLogP1.09
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (8S)-N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine with MolForge

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Related Compounds

(8S)-N-[(1S,3R)-3-ethylcyclopentyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 124856463
(8S)-N-(2-adamantyl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 97233340
2-(methoxymethyl)-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 75383372
8-[[ethyl(methyl)sulfamoyl]amino]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 128996618
2-(methoxymethyl)-8-[[methyl(propan-2-yl)sulfamoyl]amino]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 128968425
(2S)-N-tert-butyl-2-[[(8S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]propanamide
CID 97226202
(2R,5S)-N-[(8S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2,5-dimethylmorpholine-4-sulfonamide
CID 129326756
N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2,3-dihydro-1H-indene-2-sulfonamide
CID 128996608
(8S)-N-[(3-chloro-4-methylphenyl)methyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 124628702
6-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]pyridine-3-carbonitrile
CID 71918720
N-[(8S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2,5-dimethylthiophene-3-sulfonamide
CID 129381454
5-chloro-N-[(8R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,3-dimethylpyrazole-4-sulfonamide
CID 129381495

Frequently Asked Questions

What is the IUPAC name of (8S)-N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The IUPAC name of (8S)-N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (CID 97233358) is (8S)-N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine.
What is the SMILES notation for (8S)-N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The canonical SMILES for (8S)-N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is COCc1nc2n(n1)CCC[C@@H]2N[C@H]1CCN(C2CC2)C1.
What is the InChIKey of (8S)-N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The InChIKey is IQFPQVSJNAGNIU-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H25N5O/c1-21-10-14-17-15-13(3-2-7-20(15)18-14)16-11-6-8-19(9-11)12-4-5-12/h11-13,16H,2-10H2,1H3/t11-,13-/m0/s1.
What are the key properties of (8S)-N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
(8S)-N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine has a molecular weight of 291.40 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is sourced from PubChem (CID 97233358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).