[1-[(2,6-dichlorophenyl)methyl]-3-methylindazol-6-yl]-(2,3-dihydro-1H-tetrazol-5-yl)methanol

C17H16Cl2N6O — CID 118120843

IUPAC[1-[(2,6-dichlorophenyl)methyl]-3-methylindazol-6-yl]-(2,3-dihydro-1H-tetrazol-5-yl)methanol
SMILESCc1nn(Cc2c(Cl)cccc2Cl)c2cc(C(O)C3=NNNN3)ccc12
InChIInChI=1S/C17H16Cl2N6O/c1-9-11-6-5-10(16(26)17-20-23-24-21-17)7-15(11)25(22-9)8-12-13(18)3-2-4-14(12)19/h2-7,16,23-24,26H,8H2,1H3,(H,20,21)
InChIKeyBXZZIJSWQZOZSZ-UHFFFAOYSA-N
MW391.26 g/mol
LogP2.66
Rot. Bonds4

About [1-[(2,6-dichlorophenyl)methyl]-3-methylindazol-6-yl]-(2,3-dihydro-1H-tetrazol-5-yl)methanol

[1-[(2,6-dichlorophenyl)methyl]-3-methylindazol-6-yl]-(2,3-dihydro-1H-tetrazol-5-yl)methanol (PubChem CID 118120843) has the molecular formula C17H16Cl2N6O and a molecular weight of 391.26 g/mol. Its IUPAC name is [1-[(2,6-dichlorophenyl)methyl]-3-methylindazol-6-yl]-(2,3-dihydro-1H-tetrazol-5-yl)methanol.

Molecular Properties

Compound Name[1-[(2,6-dichlorophenyl)methyl]-3-methylindazol-6-yl]-(2,3-dihydro-1H-tetrazol-5-yl)methanol
PubChem CID118120843
Molecular FormulaC17H16Cl2N6O
Molecular Weight391.26 g/mol
Exact Mass390.08
IUPAC Name[1-[(2,6-dichlorophenyl)methyl]-3-methylindazol-6-yl]-(2,3-dihydro-1H-tetrazol-5-yl)methanol
SMILESCc1nn(Cc2c(Cl)cccc2Cl)c2cc(C(O)C3=NNNN3)ccc12
InChIInChI=1S/C17H16Cl2N6O/c1-9-11-6-5-10(16(26)17-20-23-24-21-17)7-15(11)25(22-9)8-12-13(18)3-2-4-14(12)19/h2-7,16,23-24,26H,8H2,1H3,(H,20,21)
InChIKeyBXZZIJSWQZOZSZ-UHFFFAOYSA-N
XLogP2.66
TPSA86.50 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.26
LogP ≤ 52.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[(2,6-dichlorophenyl)methyl]-3-methylindazol-6-yl]-(2,3-dihydro-1H-tetrazol-5-yl)methanol?
The IUPAC name of [1-[(2,6-dichlorophenyl)methyl]-3-methylindazol-6-yl]-(2,3-dihydro-1H-tetrazol-5-yl)methanol (CID 118120843) is [1-[(2,6-dichlorophenyl)methyl]-3-methylindazol-6-yl]-(2,3-dihydro-1H-tetrazol-5-yl)methanol.
What is the SMILES notation for [1-[(2,6-dichlorophenyl)methyl]-3-methylindazol-6-yl]-(2,3-dihydro-1H-tetrazol-5-yl)methanol?
The canonical SMILES for [1-[(2,6-dichlorophenyl)methyl]-3-methylindazol-6-yl]-(2,3-dihydro-1H-tetrazol-5-yl)methanol is Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(C(O)C3=NNNN3)ccc12.
What is the InChIKey of [1-[(2,6-dichlorophenyl)methyl]-3-methylindazol-6-yl]-(2,3-dihydro-1H-tetrazol-5-yl)methanol?
The InChIKey is BXZZIJSWQZOZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N6O/c1-9-11-6-5-10(16(26)17-20-23-24-21-17)7-15(11)25(22-9)8-12-13(18)3-2-4-14(12)19/h2-7,16,23-24,26H,8H2,1H3,(H,20,21).
What are the key properties of [1-[(2,6-dichlorophenyl)methyl]-3-methylindazol-6-yl]-(2,3-dihydro-1H-tetrazol-5-yl)methanol?
[1-[(2,6-dichlorophenyl)methyl]-3-methylindazol-6-yl]-(2,3-dihydro-1H-tetrazol-5-yl)methanol has a molecular weight of 391.26 g/mol, XLogP of 2.66, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,6-dichlorophenyl)methyl]-3-methylindazol-6-yl]-(2,3-dihydro-1H-tetrazol-5-yl)methanol is sourced from PubChem (CID 118120843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).