4-(3-amino-4,5,6,7-tetrahydroindazol-2-yl)benzonitrile

C14H14N4 — CID 65348648

IUPAC4-(3-amino-4,5,6,7-tetrahydroindazol-2-yl)benzonitrile
SMILESN#Cc1ccc(-n2nc3c(c2N)CCCC3)cc1
InChIInChI=1S/C14H14N4/c15-9-10-5-7-11(8-6-10)18-14(16)12-3-1-2-4-13(12)17-18/h5-8H,1-4,16H2
InChIKeyYOAPLKGHXRAMQM-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.20
Rot. Bonds1

About 4-(3-amino-4,5,6,7-tetrahydroindazol-2-yl)benzonitrile

4-(3-amino-4,5,6,7-tetrahydroindazol-2-yl)benzonitrile (PubChem CID 65348648) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-(3-amino-4,5,6,7-tetrahydroindazol-2-yl)benzonitrile.

Molecular Properties

Compound Name4-(3-amino-4,5,6,7-tetrahydroindazol-2-yl)benzonitrile
PubChem CID65348648
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name4-(3-amino-4,5,6,7-tetrahydroindazol-2-yl)benzonitrile
SMILESN#Cc1ccc(-n2nc3c(c2N)CCCC3)cc1
InChIInChI=1S/C14H14N4/c15-9-10-5-7-11(8-6-10)18-14(16)12-3-1-2-4-13(12)17-18/h5-8H,1-4,16H2
InChIKeyYOAPLKGHXRAMQM-UHFFFAOYSA-N
XLogP2.20
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-4,5,6,7-tetrahydroindazol-2-yl)benzonitrile?
The IUPAC name of 4-(3-amino-4,5,6,7-tetrahydroindazol-2-yl)benzonitrile (CID 65348648) is 4-(3-amino-4,5,6,7-tetrahydroindazol-2-yl)benzonitrile.
What is the SMILES notation for 4-(3-amino-4,5,6,7-tetrahydroindazol-2-yl)benzonitrile?
The canonical SMILES for 4-(3-amino-4,5,6,7-tetrahydroindazol-2-yl)benzonitrile is N#Cc1ccc(-n2nc3c(c2N)CCCC3)cc1.
What is the InChIKey of 4-(3-amino-4,5,6,7-tetrahydroindazol-2-yl)benzonitrile?
The InChIKey is YOAPLKGHXRAMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c15-9-10-5-7-11(8-6-10)18-14(16)12-3-1-2-4-13(12)17-18/h5-8H,1-4,16H2.
What are the key properties of 4-(3-amino-4,5,6,7-tetrahydroindazol-2-yl)benzonitrile?
4-(3-amino-4,5,6,7-tetrahydroindazol-2-yl)benzonitrile has a molecular weight of 238.29 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-4,5,6,7-tetrahydroindazol-2-yl)benzonitrile is sourced from PubChem (CID 65348648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).