N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride

C14H25Cl2N5O — CID 119900267

IUPACN-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
SMILESCCc1nc2n(n1)CCCC2NC(=O)CC1CCCN1.Cl.Cl
InChIInChI=1S/C14H23N5O.2ClH/c1-2-12-17-14-11(6-4-8-19(14)18-12)16-13(20)9-10-5-3-7-15-10;;/h10-11,15H,2-9H2,1H3,(H,16,20);2*1H
InChIKeyWAUDMHQZPMHBJX-UHFFFAOYSA-N
MW350.29 g/mol
LogP1.78
Rot. Bonds4

About N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride

N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride (PubChem CID 119900267) has the molecular formula C14H25Cl2N5O and a molecular weight of 350.29 g/mol. Its IUPAC name is N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
PubChem CID119900267
Molecular FormulaC14H25Cl2N5O
Molecular Weight350.29 g/mol
Exact Mass349.14
IUPAC NameN-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
SMILESCCc1nc2n(n1)CCCC2NC(=O)CC1CCCN1.Cl.Cl
InChIInChI=1S/C14H23N5O.2ClH/c1-2-12-17-14-11(6-4-8-19(14)18-12)16-13(20)9-10-5-3-7-15-10;;/h10-11,15H,2-9H2,1H3,(H,16,20);2*1H
InChIKeyWAUDMHQZPMHBJX-UHFFFAOYSA-N
XLogP1.78
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-aminophenyl)-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide;dihydrochloride
CID 119900239
N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119900263
3-ethyl-N-[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,2,4-thiadiazol-5-amine
CID 97055693
2-ethyl-N-[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-methyl-1,3-oxazole-5-carboxamide
CID 125144382
2-(pyrrolidin-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117157212
1-[(1S,2R)-2-cyclohexylcyclopropyl]-3-[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea
CID 97050961
N-(2-oxoazepan-3-yl)-2-pyrrolidin-2-ylacetamide
CID 61364815
N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 84596923
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119730423
1-[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea
CID 97050768
N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide
CID 126766253
1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 71856846

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The IUPAC name of N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride (CID 119900267) is N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride.
What is the SMILES notation for N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The canonical SMILES for N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride is CCc1nc2n(n1)CCCC2NC(=O)CC1CCCN1.Cl.Cl.
What is the InChIKey of N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The InChIKey is WAUDMHQZPMHBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O.2ClH/c1-2-12-17-14-11(6-4-8-19(14)18-12)16-13(20)9-10-5-3-7-15-10;;/h10-11,15H,2-9H2,1H3,(H,16,20);2*1H.
What are the key properties of N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride?
N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride has a molecular weight of 350.29 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride is sourced from PubChem (CID 119900267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).