N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C16H15N5O2 — CID 29258499

IUPACN-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCN(C[C@@H]1Cc2ccccc2O1)C(=O)c1nc2ncccn2n1
InChIInChI=1S/C16H15N5O2/c1-20(10-12-9-11-5-2-3-6-13(11)23-12)15(22)14-18-16-17-7-4-8-21(16)19-14/h2-8,12H,9-10H2,1H3/t12-/m0/s1
InChIKeyOXIHDFDYYQHFJS-LBPRGKRZSA-N
MW309.33 g/mol
LogP1.20
Rot. Bonds3

About N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 29258499) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID29258499
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC NameN-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCN(C[C@@H]1Cc2ccccc2O1)C(=O)c1nc2ncccn2n1
InChIInChI=1S/C16H15N5O2/c1-20(10-12-9-11-5-2-3-6-13(11)23-12)15(22)14-18-16-17-7-4-8-21(16)19-14/h2-8,12H,9-10H2,1H3/t12-/m0/s1
InChIKeyOXIHDFDYYQHFJS-LBPRGKRZSA-N
XLogP1.20
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,1-dimethylimidazo[2,1-e]pyrazole-7-carboxamide
CID 50956664
N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 95147952
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-ethyl-N-methylpyrimidine-5-carboxamide
CID 95137985
N-methyl-N-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 46981642
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,1,2,5-tetramethylpyrrole-3-carboxamide
CID 135095648
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-2-morpholin-4-ylbenzamide
CID 131922274
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,1-dimethylpyrazolo[4,5-b]pyridine-6-carboxamide
CID 156586654
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-propyl-1,3-thiazole-4-carboxamide
CID 125161477
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 95123892
3-amino-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-4-phenyl-1H-pyrazole-5-carboxamide
CID 99947024
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 156585731
1-(2,3-dihydro-1-benzofuran-2-yl)-N,N-dimethylmethanamine
CID 2842479

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 29258499) is N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is CN(C[C@@H]1Cc2ccccc2O1)C(=O)c1nc2ncccn2n1.
What is the InChIKey of N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is OXIHDFDYYQHFJS-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-20(10-12-9-11-5-2-3-6-13(11)23-12)15(22)14-18-16-17-7-4-8-21(16)19-14/h2-8,12H,9-10H2,1H3/t12-/m0/s1.
What are the key properties of N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 29258499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).