5-(1-benzyltriazol-4-yl)-1H-indazole

C16H13N5 — CID 25165861

IUPAC5-(1-benzyltriazol-4-yl)-1H-indazole
SMILESc1ccc(Cn2cc(-c3ccc4[nH]ncc4c3)nn2)cc1
InChIInChI=1S/C16H13N5/c1-2-4-12(5-3-1)10-21-11-16(19-20-21)13-6-7-15-14(8-13)9-17-18-15/h1-9,11H,10H2,(H,17,18)
InChIKeyGVMDVMPNOAVKJR-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.87
Rot. Bonds3

About 5-(1-benzyltriazol-4-yl)-1H-indazole

5-(1-benzyltriazol-4-yl)-1H-indazole (PubChem CID 25165861) has the molecular formula C16H13N5 and a molecular weight of 275.31 g/mol. Its IUPAC name is 5-(1-benzyltriazol-4-yl)-1H-indazole.

Molecular Properties

Compound Name5-(1-benzyltriazol-4-yl)-1H-indazole
PubChem CID25165861
Molecular FormulaC16H13N5
Molecular Weight275.31 g/mol
Exact Mass275.12
IUPAC Name5-(1-benzyltriazol-4-yl)-1H-indazole
SMILESc1ccc(Cn2cc(-c3ccc4[nH]ncc4c3)nn2)cc1
InChIInChI=1S/C16H13N5/c1-2-4-12(5-3-1)10-21-11-16(19-20-21)13-6-7-15-14(8-13)9-17-18-15/h1-9,11H,10H2,(H,17,18)
InChIKeyGVMDVMPNOAVKJR-UHFFFAOYSA-N
XLogP2.87
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzyltriazol-4-yl)-1H-indazole?
The IUPAC name of 5-(1-benzyltriazol-4-yl)-1H-indazole (CID 25165861) is 5-(1-benzyltriazol-4-yl)-1H-indazole.
What is the SMILES notation for 5-(1-benzyltriazol-4-yl)-1H-indazole?
The canonical SMILES for 5-(1-benzyltriazol-4-yl)-1H-indazole is c1ccc(Cn2cc(-c3ccc4[nH]ncc4c3)nn2)cc1.
What is the InChIKey of 5-(1-benzyltriazol-4-yl)-1H-indazole?
The InChIKey is GVMDVMPNOAVKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5/c1-2-4-12(5-3-1)10-21-11-16(19-20-21)13-6-7-15-14(8-13)9-17-18-15/h1-9,11H,10H2,(H,17,18).
What are the key properties of 5-(1-benzyltriazol-4-yl)-1H-indazole?
5-(1-benzyltriazol-4-yl)-1H-indazole has a molecular weight of 275.31 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzyltriazol-4-yl)-1H-indazole is sourced from PubChem (CID 25165861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).