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

C23H19N7 — CID 159250307

IUPAC5-(1-benzyltriazol-4-yl)-1H-indazole;1H-indazole
SMILESc1ccc(Cn2cc(-c3ccc4[nH]ncc4c3)nn2)cc1.c1ccc2[nH]ncc2c1
InChIInChI=1S/C16H13N5.C7H6N2/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;1-2-4-7-6(3-1)5-8-9-7/h1-9,11H,10H2,(H,17,18);1-5H,(H,8,9)
InChIKeyKVFDZWRLECZZFK-UHFFFAOYSA-N
MW393.45 g/mol
LogP4.43
Rot. Bonds3

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

5-(1-benzyltriazol-4-yl)-1H-indazole;1H-indazole (PubChem CID 159250307) has the molecular formula C23H19N7 and a molecular weight of 393.45 g/mol. Its IUPAC name is 5-(1-benzyltriazol-4-yl)-1H-indazole;1H-indazole.

Molecular Properties

Compound Name5-(1-benzyltriazol-4-yl)-1H-indazole;1H-indazole
PubChem CID159250307
Molecular FormulaC23H19N7
Molecular Weight393.45 g/mol
Exact Mass393.17
IUPAC Name5-(1-benzyltriazol-4-yl)-1H-indazole;1H-indazole
SMILESc1ccc(Cn2cc(-c3ccc4[nH]ncc4c3)nn2)cc1.c1ccc2[nH]ncc2c1
InChIInChI=1S/C16H13N5.C7H6N2/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;1-2-4-7-6(3-1)5-8-9-7/h1-9,11H,10H2,(H,17,18);1-5H,(H,8,9)
InChIKeyKVFDZWRLECZZFK-UHFFFAOYSA-N
XLogP4.43
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(1H-indazol-5-yl)triazol-1-yl]propanoic acid
CID 167882834
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1-benzyl-4-(4-methoxyphenyl)triazole
CID 159416522
1-benzyl-4-(3-ethynylphenyl)triazole
CID 132526695
2-[[5-(1-benzyltriazol-4-yl)-1H-indazol-3-yl]-methylamino]acetamide
CID 68736979
1-benzyl-4-(3,5-dimethoxyphenyl)triazole
CID 70640912
5-(1-benzyltriazol-4-yl)-2-fluorobenzonitrile
CID 68791172
5-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]pyrimidine
CID 147598461
[4-(1-benzyltriazol-4-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane
CID 86273447
1-[(3-benzylphenyl)methyl]-4-phenyltriazole
CID 11993966
1H-indazole;ruthenium(3+)
CID 158942897
4-hydroxy-3-[4-(1H-indazol-5-yl)triazol-1-yl]benzoic acid
CID 167873761

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzyltriazol-4-yl)-1H-indazole;1H-indazole?
The IUPAC name of 5-(1-benzyltriazol-4-yl)-1H-indazole;1H-indazole (CID 159250307) is 5-(1-benzyltriazol-4-yl)-1H-indazole;1H-indazole.
What is the SMILES notation for 5-(1-benzyltriazol-4-yl)-1H-indazole;1H-indazole?
The canonical SMILES for 5-(1-benzyltriazol-4-yl)-1H-indazole;1H-indazole is c1ccc(Cn2cc(-c3ccc4[nH]ncc4c3)nn2)cc1.c1ccc2[nH]ncc2c1.
What is the InChIKey of 5-(1-benzyltriazol-4-yl)-1H-indazole;1H-indazole?
The InChIKey is KVFDZWRLECZZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5.C7H6N2/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;1-2-4-7-6(3-1)5-8-9-7/h1-9,11H,10H2,(H,17,18);1-5H,(H,8,9).
What are the key properties of 5-(1-benzyltriazol-4-yl)-1H-indazole;1H-indazole?
5-(1-benzyltriazol-4-yl)-1H-indazole;1H-indazole has a molecular weight of 393.45 g/mol, XLogP of 4.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzyltriazol-4-yl)-1H-indazole;1H-indazole is sourced from PubChem (CID 159250307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).