2-(methoxymethyl)-8-[[methyl(propan-2-yl)sulfamoyl]amino]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

C12H23N5O3S — CID 128968425

IUPAC2-(methoxymethyl)-8-[[methyl(propan-2-yl)sulfamoyl]amino]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOCc1nc2n(n1)CCCC2NS(=O)(=O)N(C)C(C)C
InChIInChI=1S/C12H23N5O3S/c1-9(2)16(3)21(18,19)15-10-6-5-7-17-12(10)13-11(14-17)8-20-4/h9-10,15H,5-8H2,1-4H3
InChIKeyDDNSWEQPNBMICZ-UHFFFAOYSA-N
MW317.42 g/mol
LogP0.43
Rot. Bonds6

About 2-(methoxymethyl)-8-[[methyl(propan-2-yl)sulfamoyl]amino]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

2-(methoxymethyl)-8-[[methyl(propan-2-yl)sulfamoyl]amino]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 128968425) has the molecular formula C12H23N5O3S and a molecular weight of 317.42 g/mol. Its IUPAC name is 2-(methoxymethyl)-8-[[methyl(propan-2-yl)sulfamoyl]amino]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(methoxymethyl)-8-[[methyl(propan-2-yl)sulfamoyl]amino]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID128968425
Molecular FormulaC12H23N5O3S
Molecular Weight317.42 g/mol
Exact Mass317.15
IUPAC Name2-(methoxymethyl)-8-[[methyl(propan-2-yl)sulfamoyl]amino]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOCc1nc2n(n1)CCCC2NS(=O)(=O)N(C)C(C)C
InChIInChI=1S/C12H23N5O3S/c1-9(2)16(3)21(18,19)15-10-6-5-7-17-12(10)13-11(14-17)8-20-4/h9-10,15H,5-8H2,1-4H3
InChIKeyDDNSWEQPNBMICZ-UHFFFAOYSA-N
XLogP0.43
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-[[ethyl(methyl)sulfamoyl]amino]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 128996618
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
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
N-[(8R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,3-benzodioxole-5-sulfonamide
CID 129471482
(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
(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
(8S)-N-(2-adamantyl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 97233340
8-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 75495005
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
(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-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 97233358

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-8-[[methyl(propan-2-yl)sulfamoyl]amino]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-(methoxymethyl)-8-[[methyl(propan-2-yl)sulfamoyl]amino]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 128968425) is 2-(methoxymethyl)-8-[[methyl(propan-2-yl)sulfamoyl]amino]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(methoxymethyl)-8-[[methyl(propan-2-yl)sulfamoyl]amino]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-(methoxymethyl)-8-[[methyl(propan-2-yl)sulfamoyl]amino]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is COCc1nc2n(n1)CCCC2NS(=O)(=O)N(C)C(C)C.
What is the InChIKey of 2-(methoxymethyl)-8-[[methyl(propan-2-yl)sulfamoyl]amino]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is DDNSWEQPNBMICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O3S/c1-9(2)16(3)21(18,19)15-10-6-5-7-17-12(10)13-11(14-17)8-20-4/h9-10,15H,5-8H2,1-4H3.
What are the key properties of 2-(methoxymethyl)-8-[[methyl(propan-2-yl)sulfamoyl]amino]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
2-(methoxymethyl)-8-[[methyl(propan-2-yl)sulfamoyl]amino]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 317.42 g/mol, XLogP of 0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-8-[[methyl(propan-2-yl)sulfamoyl]amino]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 128968425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).