3-amino-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-phenylpropanamide;dihydrochloride

C17H25Cl2N5O — CID 119954217

IUPAC3-amino-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-phenylpropanamide;dihydrochloride
SMILESCCc1nc2n(n1)CCCC2NC(=O)CC(N)c1ccccc1.Cl.Cl
InChIInChI=1S/C17H23N5O.2ClH/c1-2-15-20-17-14(9-6-10-22(17)21-15)19-16(23)11-13(18)12-7-4-3-5-8-12;;/h3-5,7-8,13-14H,2,6,9-11,18H2,1H3,(H,19,23);2*1H
InChIKeyOWHNCTCTILUZNT-UHFFFAOYSA-N
MW386.33 g/mol
LogP2.73
Rot. Bonds5

About 3-amino-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-phenylpropanamide;dihydrochloride

3-amino-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-phenylpropanamide;dihydrochloride (PubChem CID 119954217) has the molecular formula C17H25Cl2N5O and a molecular weight of 386.33 g/mol. Its IUPAC name is 3-amino-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-phenylpropanamide;dihydrochloride
PubChem CID119954217
Molecular FormulaC17H25Cl2N5O
Molecular Weight386.33 g/mol
Exact Mass385.14
IUPAC Name3-amino-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-phenylpropanamide;dihydrochloride
SMILESCCc1nc2n(n1)CCCC2NC(=O)CC(N)c1ccccc1.Cl.Cl
InChIInChI=1S/C17H23N5O.2ClH/c1-2-15-20-17-14(9-6-10-22(17)21-15)19-16(23)11-13(18)12-7-4-3-5-8-12;;/h3-5,7-8,13-14H,2,6,9-11,18H2,1H3,(H,19,23);2*1H
InChIKeyOWHNCTCTILUZNT-UHFFFAOYSA-N
XLogP2.73
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.33
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzothiazol-2-yl)-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
CID 71856187
(2S)-N-[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(3-propan-2-ylphenoxy)propanamide
CID 96537661
3-amino-N-(1,3-dimethylpiperidin-4-yl)-3-phenylpropanamide
CID 115748935
3-amino-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)cyclohexane-1-carboxamide
CID 119900248
3-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide;hydrochloride
CID 119949454
3-amino-3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 119948742
2-methylpropyl 4-[[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]piperidine-1-carboxylate
CID 99851631
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119952665
3-amino-3-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanamide;hydrochloride
CID 119951600
3-amino-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride
CID 119954156
1-(2H-benzotriazol-5-yl)-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
CID 75431637
1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea
CID 97054164

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-phenylpropanamide;dihydrochloride?
The IUPAC name of 3-amino-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-phenylpropanamide;dihydrochloride (CID 119954217) is 3-amino-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-phenylpropanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-phenylpropanamide;dihydrochloride is CCc1nc2n(n1)CCCC2NC(=O)CC(N)c1ccccc1.Cl.Cl.
What is the InChIKey of 3-amino-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-phenylpropanamide;dihydrochloride?
The InChIKey is OWHNCTCTILUZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O.2ClH/c1-2-15-20-17-14(9-6-10-22(17)21-15)19-16(23)11-13(18)12-7-4-3-5-8-12;;/h3-5,7-8,13-14H,2,6,9-11,18H2,1H3,(H,19,23);2*1H.
What are the key properties of 3-amino-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-phenylpropanamide;dihydrochloride?
3-amino-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-phenylpropanamide;dihydrochloride has a molecular weight of 386.33 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 119954217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).