5-[[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]furan-2-carbonitrile

C15H18N4O2 — CID 115652694

IUPAC5-[[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]furan-2-carbonitrile
SMILESN#Cc1ccc(CNC2CCCc3c2cnn3CCO)o1
InChIInChI=1S/C15H18N4O2/c16-8-11-4-5-12(21-11)9-17-14-2-1-3-15-13(14)10-18-19(15)6-7-20/h4-5,10,14,17,20H,1-3,6-7,9H2
InChIKeyKBISQDHNRZAFFD-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.51
Rot. Bonds5

About 5-[[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]furan-2-carbonitrile

5-[[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]furan-2-carbonitrile (PubChem CID 115652694) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 5-[[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]furan-2-carbonitrile
PubChem CID115652694
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name5-[[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]furan-2-carbonitrile
SMILESN#Cc1ccc(CNC2CCCc3c2cnn3CCO)o1
InChIInChI=1S/C15H18N4O2/c16-8-11-4-5-12(21-11)9-17-14-2-1-3-15-13(14)10-18-19(15)6-7-20/h4-5,10,14,17,20H,1-3,6-7,9H2
InChIKeyKBISQDHNRZAFFD-UHFFFAOYSA-N
XLogP1.51
TPSA87.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]furan-2-carbonitrile?
The IUPAC name of 5-[[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]furan-2-carbonitrile (CID 115652694) is 5-[[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]furan-2-carbonitrile is N#Cc1ccc(CNC2CCCc3c2cnn3CCO)o1.
What is the InChIKey of 5-[[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]furan-2-carbonitrile?
The InChIKey is KBISQDHNRZAFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c16-8-11-4-5-12(21-11)9-17-14-2-1-3-15-13(14)10-18-19(15)6-7-20/h4-5,10,14,17,20H,1-3,6-7,9H2.
What are the key properties of 5-[[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]furan-2-carbonitrile?
5-[[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]furan-2-carbonitrile has a molecular weight of 286.33 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]furan-2-carbonitrile is sourced from PubChem (CID 115652694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).