5-[4-(cyclohexylmethyl)triazol-1-yl]-1H-indazole

C16H19N5 — CID 53323614

IUPAC5-[4-(cyclohexylmethyl)triazol-1-yl]-1H-indazole
SMILESc1cc2[nH]ncc2cc1-n1cc(CC2CCCCC2)nn1
InChIInChI=1S/C16H19N5/c1-2-4-12(5-3-1)8-14-11-21(20-18-14)15-6-7-16-13(9-15)10-17-19-16/h6-7,9-12H,1-5,8H2,(H,17,19)
InChIKeyLBNUFTOENPMFSK-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.27
Rot. Bonds3

About 5-[4-(cyclohexylmethyl)triazol-1-yl]-1H-indazole

5-[4-(cyclohexylmethyl)triazol-1-yl]-1H-indazole (PubChem CID 53323614) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-[4-(cyclohexylmethyl)triazol-1-yl]-1H-indazole.

Molecular Properties

Compound Name5-[4-(cyclohexylmethyl)triazol-1-yl]-1H-indazole
PubChem CID53323614
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name5-[4-(cyclohexylmethyl)triazol-1-yl]-1H-indazole
SMILESc1cc2[nH]ncc2cc1-n1cc(CC2CCCCC2)nn1
InChIInChI=1S/C16H19N5/c1-2-4-12(5-3-1)8-14-11-21(20-18-14)15-6-7-16-13(9-15)10-17-19-16/h6-7,9-12H,1-5,8H2,(H,17,19)
InChIKeyLBNUFTOENPMFSK-UHFFFAOYSA-N
XLogP3.27
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(cyclohexylmethyl)triazol-1-yl]-1H-indazole?
The IUPAC name of 5-[4-(cyclohexylmethyl)triazol-1-yl]-1H-indazole (CID 53323614) is 5-[4-(cyclohexylmethyl)triazol-1-yl]-1H-indazole.
What is the SMILES notation for 5-[4-(cyclohexylmethyl)triazol-1-yl]-1H-indazole?
The canonical SMILES for 5-[4-(cyclohexylmethyl)triazol-1-yl]-1H-indazole is c1cc2[nH]ncc2cc1-n1cc(CC2CCCCC2)nn1.
What is the InChIKey of 5-[4-(cyclohexylmethyl)triazol-1-yl]-1H-indazole?
The InChIKey is LBNUFTOENPMFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-2-4-12(5-3-1)8-14-11-21(20-18-14)15-6-7-16-13(9-15)10-17-19-16/h6-7,9-12H,1-5,8H2,(H,17,19).
What are the key properties of 5-[4-(cyclohexylmethyl)triazol-1-yl]-1H-indazole?
5-[4-(cyclohexylmethyl)triazol-1-yl]-1H-indazole has a molecular weight of 281.36 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(cyclohexylmethyl)triazol-1-yl]-1H-indazole is sourced from PubChem (CID 53323614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).