N-[[1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]triazol-4-yl]methyl]furan-2-carboxamide

C16H21N5O2 — CID 57340877

IUPACN-[[1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]triazol-4-yl]methyl]furan-2-carboxamide
SMILESCN1[C@@H]2CC[C@H]1CC(n1cc(CNC(=O)c3ccco3)nn1)C2
InChIInChI=1S/C16H21N5O2/c1-20-12-4-5-13(20)8-14(7-12)21-10-11(18-19-21)9-17-16(22)15-3-2-6-23-15/h2-3,6,10,12-14H,4-5,7-9H2,1H3,(H,17,22)/t12-,13+,14?
InChIKeyMKJMQJPHIUSFQY-PBWFPOADSA-N
MW315.38 g/mol
LogP1.60
Rot. Bonds4

About N-[[1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]triazol-4-yl]methyl]furan-2-carboxamide

N-[[1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]triazol-4-yl]methyl]furan-2-carboxamide (PubChem CID 57340877) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-[[1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]triazol-4-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]triazol-4-yl]methyl]furan-2-carboxamide
PubChem CID57340877
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-[[1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]triazol-4-yl]methyl]furan-2-carboxamide
SMILESCN1[C@@H]2CC[C@H]1CC(n1cc(CNC(=O)c3ccco3)nn1)C2
InChIInChI=1S/C16H21N5O2/c1-20-12-4-5-13(20)8-14(7-12)21-10-11(18-19-21)9-17-16(22)15-3-2-6-23-15/h2-3,6,10,12-14H,4-5,7-9H2,1H3,(H,17,22)/t12-,13+,14?
InChIKeyMKJMQJPHIUSFQY-PBWFPOADSA-N
XLogP1.60
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]triazol-4-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]triazol-4-yl]methyl]furan-2-carboxamide (CID 57340877) is N-[[1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]triazol-4-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]triazol-4-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]triazol-4-yl]methyl]furan-2-carboxamide is CN1[C@@H]2CC[C@H]1CC(n1cc(CNC(=O)c3ccco3)nn1)C2.
What is the InChIKey of N-[[1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]triazol-4-yl]methyl]furan-2-carboxamide?
The InChIKey is MKJMQJPHIUSFQY-PBWFPOADSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-20-12-4-5-13(20)8-14(7-12)21-10-11(18-19-21)9-17-16(22)15-3-2-6-23-15/h2-3,6,10,12-14H,4-5,7-9H2,1H3,(H,17,22)/t12-,13+,14?.
What are the key properties of N-[[1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]triazol-4-yl]methyl]furan-2-carboxamide?
N-[[1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]triazol-4-yl]methyl]furan-2-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]triazol-4-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 57340877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).