N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(triazol-1-yl)propanamide

C14H17N5O — CID 105061403

IUPACN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(triazol-1-yl)propanamide
SMILESO=C(CCn1ccnn1)NCc1ccc2c(c1)CNC2
InChIInChI=1S/C14H17N5O/c20-14(3-5-19-6-4-17-18-19)16-8-11-1-2-12-9-15-10-13(12)7-11/h1-2,4,6-7,15H,3,5,8-10H2,(H,16,20)
InChIKeyHTCIUICDVWNQHX-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.59
Rot. Bonds5

About N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(triazol-1-yl)propanamide

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(triazol-1-yl)propanamide (PubChem CID 105061403) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(triazol-1-yl)propanamide
PubChem CID105061403
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(triazol-1-yl)propanamide
SMILESO=C(CCn1ccnn1)NCc1ccc2c(c1)CNC2
InChIInChI=1S/C14H17N5O/c20-14(3-5-19-6-4-17-18-19)16-8-11-1-2-12-9-15-10-13(12)7-11/h1-2,4,6-7,15H,3,5,8-10H2,(H,16,20)
InChIKeyHTCIUICDVWNQHX-UHFFFAOYSA-N
XLogP0.59
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-amino-1H-pyrazol-4-yl)methyl]-3-(triazol-1-yl)propanamide
CID 79529704
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(3-fluorophenyl)acetamide
CID 105062315
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(oxan-2-yl)propanamide
CID 105061488
N-[(4-hydroxyphenyl)methyl]-2-(triazol-1-yl)acetamide
CID 113264687
3,5-dichloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzamide
CID 105062320
3-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)pyridine-4-carboxamide
CID 105062327
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-fluoropyridine-4-carboxamide
CID 105062273
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-5-methylfuran-3-carboxamide
CID 105357534
N-(2-hydroxy-2-phenylethyl)-3-(triazol-1-yl)propanamide
CID 43501203
3-(1,3-benzodioxol-5-yl)-N-[2-(triazol-1-yl)ethyl]propanamide
CID 122561293
N-[(4-hydroxycyclohexyl)methyl]-3-(triazol-1-yl)propanamide
CID 114146390
2-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)furan-3-carboxamide
CID 106688632

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(triazol-1-yl)propanamide?
The IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(triazol-1-yl)propanamide (CID 105061403) is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(triazol-1-yl)propanamide.
What is the SMILES notation for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(triazol-1-yl)propanamide?
The canonical SMILES for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(triazol-1-yl)propanamide is O=C(CCn1ccnn1)NCc1ccc2c(c1)CNC2.
What is the InChIKey of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(triazol-1-yl)propanamide?
The InChIKey is HTCIUICDVWNQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c20-14(3-5-19-6-4-17-18-19)16-8-11-1-2-12-9-15-10-13(12)7-11/h1-2,4,6-7,15H,3,5,8-10H2,(H,16,20).
What are the key properties of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(triazol-1-yl)propanamide?
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(triazol-1-yl)propanamide has a molecular weight of 271.32 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(triazol-1-yl)propanamide is sourced from PubChem (CID 105061403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).