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

C18H28N4O — CID 97233340

IUPAC(8S)-N-(2-adamantyl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCOCc1nc2n(n1)CCC[C@@H]2NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H28N4O/c1-23-10-16-20-18-15(3-2-4-22(18)21-16)19-17-13-6-11-5-12(8-13)9-14(17)7-11/h11-15,17,19H,2-10H2,1H3/t11?,12?,13?,14?,15-,17?/m0/s1
InChIKeyGISCRZLNTFJMCT-RWUOKQAASA-N
MW316.45 g/mol
LogP2.67
Rot. Bonds4

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

(8S)-N-(2-adamantyl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (PubChem CID 97233340) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is (8S)-N-(2-adamantyl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine.

Molecular Properties

Compound Name(8S)-N-(2-adamantyl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
PubChem CID97233340
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name(8S)-N-(2-adamantyl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCOCc1nc2n(n1)CCC[C@@H]2NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H28N4O/c1-23-10-16-20-18-15(3-2-4-22(18)21-16)19-17-13-6-11-5-12(8-13)9-14(17)7-11/h11-15,17,19H,2-10H2,1H3/t11?,12?,13?,14?,15-,17?/m0/s1
InChIKeyGISCRZLNTFJMCT-RWUOKQAASA-N
XLogP2.67
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 97233358
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
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
3-ethoxy-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1H-pyrazole-5-carboxamide
CID 138034752
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-(2-adamantyl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The IUPAC name of (8S)-N-(2-adamantyl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (CID 97233340) is (8S)-N-(2-adamantyl)-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-(2-adamantyl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The canonical SMILES for (8S)-N-(2-adamantyl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is COCc1nc2n(n1)CCC[C@@H]2NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of (8S)-N-(2-adamantyl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The InChIKey is GISCRZLNTFJMCT-RWUOKQAASA-N. The full InChI is InChI=1S/C18H28N4O/c1-23-10-16-20-18-15(3-2-4-22(18)21-16)19-17-13-6-11-5-12(8-13)9-14(17)7-11/h11-15,17,19H,2-10H2,1H3/t11?,12?,13?,14?,15-,17?/m0/s1.
What are the key properties of (8S)-N-(2-adamantyl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
(8S)-N-(2-adamantyl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine has a molecular weight of 316.45 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-N-(2-adamantyl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is sourced from PubChem (CID 97233340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).