1-(4-aminocyclohexyl)-N-(2,3-dihydro-1-benzofuran-3-yl)triazole-4-carboxamide

C17H21N5O2 — CID 70750845

IUPAC1-(4-aminocyclohexyl)-N-(2,3-dihydro-1-benzofuran-3-yl)triazole-4-carboxamide
SMILESNC1CCC(n2cc(C(=O)NC3COc4ccccc43)nn2)CC1
InChIInChI=1S/C17H21N5O2/c18-11-5-7-12(8-6-11)22-9-14(20-21-22)17(23)19-15-10-24-16-4-2-1-3-13(15)16/h1-4,9,11-12,15H,5-8,10,18H2,(H,19,23)
InChIKeySPXPOSRYNBHESC-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.58
Rot. Bonds3

About 1-(4-aminocyclohexyl)-N-(2,3-dihydro-1-benzofuran-3-yl)triazole-4-carboxamide

1-(4-aminocyclohexyl)-N-(2,3-dihydro-1-benzofuran-3-yl)triazole-4-carboxamide (PubChem CID 70750845) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-(4-aminocyclohexyl)-N-(2,3-dihydro-1-benzofuran-3-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-aminocyclohexyl)-N-(2,3-dihydro-1-benzofuran-3-yl)triazole-4-carboxamide
PubChem CID70750845
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name1-(4-aminocyclohexyl)-N-(2,3-dihydro-1-benzofuran-3-yl)triazole-4-carboxamide
SMILESNC1CCC(n2cc(C(=O)NC3COc4ccccc43)nn2)CC1
InChIInChI=1S/C17H21N5O2/c18-11-5-7-12(8-6-11)22-9-14(20-21-22)17(23)19-15-10-24-16-4-2-1-3-13(15)16/h1-4,9,11-12,15H,5-8,10,18H2,(H,19,23)
InChIKeySPXPOSRYNBHESC-UHFFFAOYSA-N
XLogP1.58
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexyl)-N-(2,3-dihydro-1-benzofuran-3-yl)triazole-4-carboxamide?
The IUPAC name of 1-(4-aminocyclohexyl)-N-(2,3-dihydro-1-benzofuran-3-yl)triazole-4-carboxamide (CID 70750845) is 1-(4-aminocyclohexyl)-N-(2,3-dihydro-1-benzofuran-3-yl)triazole-4-carboxamide.
What is the SMILES notation for 1-(4-aminocyclohexyl)-N-(2,3-dihydro-1-benzofuran-3-yl)triazole-4-carboxamide?
The canonical SMILES for 1-(4-aminocyclohexyl)-N-(2,3-dihydro-1-benzofuran-3-yl)triazole-4-carboxamide is NC1CCC(n2cc(C(=O)NC3COc4ccccc43)nn2)CC1.
What is the InChIKey of 1-(4-aminocyclohexyl)-N-(2,3-dihydro-1-benzofuran-3-yl)triazole-4-carboxamide?
The InChIKey is SPXPOSRYNBHESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c18-11-5-7-12(8-6-11)22-9-14(20-21-22)17(23)19-15-10-24-16-4-2-1-3-13(15)16/h1-4,9,11-12,15H,5-8,10,18H2,(H,19,23).
What are the key properties of 1-(4-aminocyclohexyl)-N-(2,3-dihydro-1-benzofuran-3-yl)triazole-4-carboxamide?
1-(4-aminocyclohexyl)-N-(2,3-dihydro-1-benzofuran-3-yl)triazole-4-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclohexyl)-N-(2,3-dihydro-1-benzofuran-3-yl)triazole-4-carboxamide is sourced from PubChem (CID 70750845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).