N-(2,3-dihydro-1H-inden-2-yl)-2-methyl-3-(1,2,4-triazol-1-yl)propanamide

C15H18N4O — CID 131926945

IUPACN-(2,3-dihydro-1H-inden-2-yl)-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
SMILESCC(Cn1cncn1)C(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C15H18N4O/c1-11(8-19-10-16-9-17-19)15(20)18-14-6-12-4-2-3-5-13(12)7-14/h2-5,9-11,14H,6-8H2,1H3,(H,18,20)
InChIKeyPNTAAAQTQBKYPN-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.20
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-2-yl)-2-methyl-3-(1,2,4-triazol-1-yl)propanamide

N-(2,3-dihydro-1H-inden-2-yl)-2-methyl-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 131926945) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-2-methyl-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID131926945
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
SMILESCC(Cn1cncn1)C(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C15H18N4O/c1-11(8-19-10-16-9-17-19)15(20)18-14-6-12-4-2-3-5-13(12)7-14/h2-5,9-11,14H,6-8H2,1H3,(H,18,20)
InChIKeyPNTAAAQTQBKYPN-UHFFFAOYSA-N
XLogP1.20
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 63810853
(2R)-2-methyl-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 125176400
2-methyl-N-(2-pyridin-4-ylethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 131925012
(2S)-N-(3-acetylphenyl)-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 42563471
(2S)-N-(4-methoxyphenyl)-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 42563469
2-amino-N-(2,3-dihydro-1H-inden-2-yl)propanamide
CID 14599683
(2R)-2-phenyl-N-[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]propanamide
CID 99855935
2-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 118771504
(2S)-2-methyl-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 124750666
(2S)-2-methyl-N-[(2R)-2-(4-methylphenoxy)propyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 92557955
2-methyl-N-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 46971969
(2R)-1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-one
CID 51592036

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-2-methyl-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-2-methyl-3-(1,2,4-triazol-1-yl)propanamide (CID 131926945) is N-(2,3-dihydro-1H-inden-2-yl)-2-methyl-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-2-methyl-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-2-methyl-3-(1,2,4-triazol-1-yl)propanamide is CC(Cn1cncn1)C(=O)NC1Cc2ccccc2C1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-2-methyl-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is PNTAAAQTQBKYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-11(8-19-10-16-9-17-19)15(20)18-14-6-12-4-2-3-5-13(12)7-14/h2-5,9-11,14H,6-8H2,1H3,(H,18,20).
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-2-methyl-3-(1,2,4-triazol-1-yl)propanamide?
N-(2,3-dihydro-1H-inden-2-yl)-2-methyl-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 270.34 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-2-methyl-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 131926945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).