N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide

C19H24N4O — CID 95622875

IUPACN-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide
SMILESO=C(C[C@H]1CCc2ccccc2C1)NCCc1nnc2n1CCC2
InChIInChI=1S/C19H24N4O/c24-19(13-14-7-8-15-4-1-2-5-16(15)12-14)20-10-9-18-22-21-17-6-3-11-23(17)18/h1-2,4-5,14H,3,6-13H2,(H,20,24)/t14-/m0/s1
InChIKeyABYGXXWFOLNDFB-AWEZNQCLSA-N
MW324.43 g/mol
LogP2.08
Rot. Bonds5

About N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide

N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide (PubChem CID 95622875) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide
PubChem CID95622875
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide
SMILESO=C(C[C@H]1CCc2ccccc2C1)NCCc1nnc2n1CCC2
InChIInChI=1S/C19H24N4O/c24-19(13-14-7-8-15-4-1-2-5-16(15)12-14)20-10-9-18-22-21-17-6-3-11-23(17)18/h1-2,4-5,14H,3,6-13H2,(H,20,24)/t14-/m0/s1
InChIKeyABYGXXWFOLNDFB-AWEZNQCLSA-N
XLogP2.08
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)urea
CID 71922272
1-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]urea
CID 97048590
N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-pyridin-2-ylpropanamide
CID 60600060
N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 75403227
2-pyrrolidin-2-yl-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]acetamide
CID 119839638
N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]thiadiazole-4-carboxamide
CID 60557232
2-chloro-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]benzamide
CID 51307423
2-(4-bromophenyl)-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]acetamide
CID 51304500
2-(4-methylphenyl)-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]acetamide
CID 47017167
2-[(2-methylpropan-2-yl)oxy]-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 86800569
N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 51307429
N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 51080465

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide?
The IUPAC name of N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide (CID 95622875) is N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide.
What is the SMILES notation for N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide?
The canonical SMILES for N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide is O=C(C[C@H]1CCc2ccccc2C1)NCCc1nnc2n1CCC2.
What is the InChIKey of N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide?
The InChIKey is ABYGXXWFOLNDFB-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24N4O/c24-19(13-14-7-8-15-4-1-2-5-16(15)12-14)20-10-9-18-22-21-17-6-3-11-23(17)18/h1-2,4-5,14H,3,6-13H2,(H,20,24)/t14-/m0/s1.
What are the key properties of N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide?
N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide has a molecular weight of 324.43 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide is sourced from PubChem (CID 95622875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).