N-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

C14H15N5O3 — CID 136885591

IUPACN-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESC[C@@H](NC(=O)c1n[nH]c(=O)[nH]1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C14H15N5O3/c1-8(15-12(20)11-16-14(22)18-17-11)13(21)19-7-6-9-4-2-3-5-10(9)19/h2-5,8H,6-7H2,1H3,(H,15,20)(H2,16,17,18,22)/t8-/m1/s1
InChIKeyDWBMLBWIWQERRH-MRVPVSSYSA-N
MW301.31 g/mol
LogP-0.19
Rot. Bonds3

About N-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

N-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (PubChem CID 136885591) has the molecular formula C14H15N5O3 and a molecular weight of 301.31 g/mol. Its IUPAC name is N-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
PubChem CID136885591
Molecular FormulaC14H15N5O3
Molecular Weight301.31 g/mol
Exact Mass301.12
IUPAC NameN-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESC[C@@H](NC(=O)c1n[nH]c(=O)[nH]1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C14H15N5O3/c1-8(15-12(20)11-16-14(22)18-17-11)13(21)19-7-6-9-4-2-3-5-10(9)19/h2-5,8H,6-7H2,1H3,(H,15,20)(H2,16,17,18,22)/t8-/m1/s1
InChIKeyDWBMLBWIWQERRH-MRVPVSSYSA-N
XLogP-0.19
TPSA110.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-methylurea
CID 46383472
N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-methyl-1,3-oxazole-2-carboxamide
CID 154759078
N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide
CID 29405685
N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2-ethylbutanamide
CID 110348089
N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-1-hydroxycyclopentane-1-carboxamide
CID 110922742
ethyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamate
CID 110348137
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-ethylurea
CID 46383476
1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methylpropyl)urea
CID 92881544
phenyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamate
CID 110348139
2-chloro-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-6-fluorobenzamide
CID 110348128
[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]carbamic acid
CID 70362593
(5S)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-4,5,6,7-tetrahydro-2H-benzotriazole-5-carboxamide
CID 124731170

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (CID 136885591) is N-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is C[C@@H](NC(=O)c1n[nH]c(=O)[nH]1)C(=O)N1CCc2ccccc21.
What is the InChIKey of N-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The InChIKey is DWBMLBWIWQERRH-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H15N5O3/c1-8(15-12(20)11-16-14(22)18-17-11)13(21)19-7-6-9-4-2-3-5-10(9)19/h2-5,8H,6-7H2,1H3,(H,15,20)(H2,16,17,18,22)/t8-/m1/s1.
What are the key properties of N-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
N-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide has a molecular weight of 301.31 g/mol, XLogP of -0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 136885591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).