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

C16H13N5 — CID 25165085

IUPAC5-(4-benzyltriazol-1-yl)-1H-indazole
SMILESc1ccc(Cc2cn(-c3ccc4[nH]ncc4c3)nn2)cc1
InChIInChI=1S/C16H13N5/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/h1-7,9-11H,8H2,(H,17,19)
InChIKeyVSVKFEMFAYXZKR-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.73
Rot. Bonds3

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

5-(4-benzyltriazol-1-yl)-1H-indazole (PubChem CID 25165085) has the molecular formula C16H13N5 and a molecular weight of 275.31 g/mol. Its IUPAC name is 5-(4-benzyltriazol-1-yl)-1H-indazole.

Molecular Properties

Compound Name5-(4-benzyltriazol-1-yl)-1H-indazole
PubChem CID25165085
Molecular FormulaC16H13N5
Molecular Weight275.31 g/mol
Exact Mass275.12
IUPAC Name5-(4-benzyltriazol-1-yl)-1H-indazole
SMILESc1ccc(Cc2cn(-c3ccc4[nH]ncc4c3)nn2)cc1
InChIInChI=1S/C16H13N5/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/h1-7,9-11H,8H2,(H,17,19)
InChIKeyVSVKFEMFAYXZKR-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-pyridin-4-yl-1H-indazole
CID 12412578
2,4,5,10-Tetrahydropyrazolo[3,4-a]carbazole
CID 645436
4,5,6,11-Tetrahydro-1h-Pyrazolo[4',3':6,7]cyclohepta[1,2-B]indole
CID 135566619
5-(2-phenethylpiperazin-1-yl)-1H-indazole
CID 49798218
3-Methyl-5-(Pyridin-3-Yl)-2h-Pyrazolo[3,4-C]pyridine
CID 71254055
3-[5-(Piperidin-1-ylmethyl)-1h-indol-2-yl]-6-(1h-1,2,3-triazol-1-yl)-1h-indazole
CID 135559064
3-[5-(Piperidin-1-ylmethyl)-1h-indol-2-yl]-6-(2h-1,2,3-triazol-2-yl)-1h-indazole
CID 135559067
5-(1-methylpyrazol-4-yl)-3-(6-piperidin-4-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71253727
(3R)-1-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]piperidin-3-amine
CID 71254066
7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine
CID 142445421
5-fluoro-3-[3-[4-[4-fluoro-2-(1H-pyrazol-4-yl)phenyl]piperazin-1-yl]propyl]-1H-indole
CID 155552188
7-Methyl-1,2,4,5-tetrahydropyrazolo[3,4-a]carbazole
CID 659102

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzyltriazol-1-yl)-1H-indazole?
The IUPAC name of 5-(4-benzyltriazol-1-yl)-1H-indazole (CID 25165085) is 5-(4-benzyltriazol-1-yl)-1H-indazole.
What is the SMILES notation for 5-(4-benzyltriazol-1-yl)-1H-indazole?
The canonical SMILES for 5-(4-benzyltriazol-1-yl)-1H-indazole is c1ccc(Cc2cn(-c3ccc4[nH]ncc4c3)nn2)cc1.
What is the InChIKey of 5-(4-benzyltriazol-1-yl)-1H-indazole?
The InChIKey is VSVKFEMFAYXZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5/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/h1-7,9-11H,8H2,(H,17,19).
What are the key properties of 5-(4-benzyltriazol-1-yl)-1H-indazole?
5-(4-benzyltriazol-1-yl)-1H-indazole has a molecular weight of 275.31 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzyltriazol-1-yl)-1H-indazole is sourced from PubChem (CID 25165085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).