1-methyl-N-(2-propan-2-yl-1,2,4-triazol-3-yl)-1,3-dihydroisoindole-2-carboxamide

C15H19N5O — CID 128794980

IUPAC1-methyl-N-(2-propan-2-yl-1,2,4-triazol-3-yl)-1,3-dihydroisoindole-2-carboxamide
SMILESCC1c2ccccc2CN1C(=O)Nc1ncnn1C(C)C
InChIInChI=1S/C15H19N5O/c1-10(2)20-14(16-9-17-20)18-15(21)19-8-12-6-4-5-7-13(12)11(19)3/h4-7,9-11H,8H2,1-3H3,(H,16,17,18,21)
InChIKeyRZTMEWGLKOUWIM-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.97
Rot. Bonds2

About 1-methyl-N-(2-propan-2-yl-1,2,4-triazol-3-yl)-1,3-dihydroisoindole-2-carboxamide

1-methyl-N-(2-propan-2-yl-1,2,4-triazol-3-yl)-1,3-dihydroisoindole-2-carboxamide (PubChem CID 128794980) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-methyl-N-(2-propan-2-yl-1,2,4-triazol-3-yl)-1,3-dihydroisoindole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-propan-2-yl-1,2,4-triazol-3-yl)-1,3-dihydroisoindole-2-carboxamide
PubChem CID128794980
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name1-methyl-N-(2-propan-2-yl-1,2,4-triazol-3-yl)-1,3-dihydroisoindole-2-carboxamide
SMILESCC1c2ccccc2CN1C(=O)Nc1ncnn1C(C)C
InChIInChI=1S/C15H19N5O/c1-10(2)20-14(16-9-17-20)18-15(21)19-8-12-6-4-5-7-13(12)11(19)3/h4-7,9-11H,8H2,1-3H3,(H,16,17,18,21)
InChIKeyRZTMEWGLKOUWIM-UHFFFAOYSA-N
XLogP2.97
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S)-1-methyl-1,3-dihydroisoindol-2-yl]prop-2-en-1-one
CID 166406899
ethyl 1-methyl-1,3-dihydroisoindole-2-carboxylate
CID 126758255
4-methyl-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 110750023
1-(2,3-dihydro-1H-indol-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone
CID 116597015
(1S)-N-(2-bromophenyl)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 121272981
2-(3,5-dichloro-4-pyridinyl)-1-[(1S)-1-methyl-1,3-dihydroisoindol-2-yl]ethanone
CID 121269735
2-anilino-N-(2-propan-2-yl-1,2,4-triazol-3-yl)pyrimidine-5-carboxamide
CID 156585293
N-[(1-acetylpiperidin-3-yl)methyl]-1-methyl-1,3-dihydroisoindole-2-carboxamide
CID 136538834
1-methyl-1,3-dihydroisoindole-2-carboximidamide
CID 175465604
(1S)-1-(hydroxymethyl)-N-(1-propan-2-ylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 97085974
2-(1-methyl-1,3-dihydroisoindol-2-yl)acetic acid
CID 126989453
1,2-dimethyl-1,3-dihydroisoindole
CID 14708634

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-propan-2-yl-1,2,4-triazol-3-yl)-1,3-dihydroisoindole-2-carboxamide?
The IUPAC name of 1-methyl-N-(2-propan-2-yl-1,2,4-triazol-3-yl)-1,3-dihydroisoindole-2-carboxamide (CID 128794980) is 1-methyl-N-(2-propan-2-yl-1,2,4-triazol-3-yl)-1,3-dihydroisoindole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-propan-2-yl-1,2,4-triazol-3-yl)-1,3-dihydroisoindole-2-carboxamide?
The canonical SMILES for 1-methyl-N-(2-propan-2-yl-1,2,4-triazol-3-yl)-1,3-dihydroisoindole-2-carboxamide is CC1c2ccccc2CN1C(=O)Nc1ncnn1C(C)C.
What is the InChIKey of 1-methyl-N-(2-propan-2-yl-1,2,4-triazol-3-yl)-1,3-dihydroisoindole-2-carboxamide?
The InChIKey is RZTMEWGLKOUWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-10(2)20-14(16-9-17-20)18-15(21)19-8-12-6-4-5-7-13(12)11(19)3/h4-7,9-11H,8H2,1-3H3,(H,16,17,18,21).
What are the key properties of 1-methyl-N-(2-propan-2-yl-1,2,4-triazol-3-yl)-1,3-dihydroisoindole-2-carboxamide?
1-methyl-N-(2-propan-2-yl-1,2,4-triazol-3-yl)-1,3-dihydroisoindole-2-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-propan-2-yl-1,2,4-triazol-3-yl)-1,3-dihydroisoindole-2-carboxamide is sourced from PubChem (CID 128794980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).