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

C18H16Cl2N6O — CID 118215947

IUPAC[1-[(2,6-dichlorophenyl)methyl]-3-methylindazol-6-yl]-(1-methyltetrazol-5-yl)methanol
SMILESCc1nn(Cc2c(Cl)cccc2Cl)c2cc(C(O)c3nnnn3C)ccc12
InChIInChI=1S/C18H16Cl2N6O/c1-10-12-7-6-11(17(27)18-21-23-24-25(18)2)8-16(12)26(22-10)9-13-14(19)4-3-5-15(13)20/h3-8,17,27H,9H2,1-2H3
InChIKeyVUTGDEWCJFUNAO-UHFFFAOYSA-N
MW403.27 g/mol
LogP3.31
Rot. Bonds4

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

[1-[(2,6-dichlorophenyl)methyl]-3-methylindazol-6-yl]-(1-methyltetrazol-5-yl)methanol (PubChem CID 118215947) has the molecular formula C18H16Cl2N6O and a molecular weight of 403.27 g/mol. Its IUPAC name is [1-[(2,6-dichlorophenyl)methyl]-3-methylindazol-6-yl]-(1-methyltetrazol-5-yl)methanol.

Molecular Properties

Compound Name[1-[(2,6-dichlorophenyl)methyl]-3-methylindazol-6-yl]-(1-methyltetrazol-5-yl)methanol
PubChem CID118215947
Molecular FormulaC18H16Cl2N6O
Molecular Weight403.27 g/mol
Exact Mass402.08
IUPAC Name[1-[(2,6-dichlorophenyl)methyl]-3-methylindazol-6-yl]-(1-methyltetrazol-5-yl)methanol
SMILESCc1nn(Cc2c(Cl)cccc2Cl)c2cc(C(O)c3nnnn3C)ccc12
InChIInChI=1S/C18H16Cl2N6O/c1-10-12-7-6-11(17(27)18-21-23-24-25(18)2)8-16(12)26(22-10)9-13-14(19)4-3-5-15(13)20/h3-8,17,27H,9H2,1-2H3
InChIKeyVUTGDEWCJFUNAO-UHFFFAOYSA-N
XLogP3.31
TPSA81.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.27
LogP ≤ 53.31
H-Bond Donors ≤ 51
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]-(1-methyltetrazol-5-yl)methanol?
The IUPAC name of [1-[(2,6-dichlorophenyl)methyl]-3-methylindazol-6-yl]-(1-methyltetrazol-5-yl)methanol (CID 118215947) is [1-[(2,6-dichlorophenyl)methyl]-3-methylindazol-6-yl]-(1-methyltetrazol-5-yl)methanol.
What is the SMILES notation for [1-[(2,6-dichlorophenyl)methyl]-3-methylindazol-6-yl]-(1-methyltetrazol-5-yl)methanol?
The canonical SMILES for [1-[(2,6-dichlorophenyl)methyl]-3-methylindazol-6-yl]-(1-methyltetrazol-5-yl)methanol is Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(C(O)c3nnnn3C)ccc12.
What is the InChIKey of [1-[(2,6-dichlorophenyl)methyl]-3-methylindazol-6-yl]-(1-methyltetrazol-5-yl)methanol?
The InChIKey is VUTGDEWCJFUNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N6O/c1-10-12-7-6-11(17(27)18-21-23-24-25(18)2)8-16(12)26(22-10)9-13-14(19)4-3-5-15(13)20/h3-8,17,27H,9H2,1-2H3.
What are the key properties of [1-[(2,6-dichlorophenyl)methyl]-3-methylindazol-6-yl]-(1-methyltetrazol-5-yl)methanol?
[1-[(2,6-dichlorophenyl)methyl]-3-methylindazol-6-yl]-(1-methyltetrazol-5-yl)methanol has a molecular weight of 403.27 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 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]-(1-methyltetrazol-5-yl)methanol is sourced from PubChem (CID 118215947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).