(2,4-dichlorophenyl)-(1-methyltriazol-4-yl)methanol

C10H9Cl2N3O — CID 166178328

IUPAC(2,4-dichlorophenyl)-(1-methyltriazol-4-yl)methanol
SMILESCn1cc(C(O)c2ccc(Cl)cc2Cl)nn1
InChIInChI=1S/C10H9Cl2N3O/c1-15-5-9(13-14-15)10(16)7-3-2-6(11)4-8(7)12/h2-5,10,16H,1H3
InChIKeySIOUNLDJALQIQK-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.20
Rot. Bonds2

About (2,4-dichlorophenyl)-(1-methyltriazol-4-yl)methanol

(2,4-dichlorophenyl)-(1-methyltriazol-4-yl)methanol (PubChem CID 166178328) has the molecular formula C10H9Cl2N3O and a molecular weight of 258.11 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(1-methyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(1-methyltriazol-4-yl)methanol
PubChem CID166178328
Molecular FormulaC10H9Cl2N3O
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name(2,4-dichlorophenyl)-(1-methyltriazol-4-yl)methanol
SMILESCn1cc(C(O)c2ccc(Cl)cc2Cl)nn1
InChIInChI=1S/C10H9Cl2N3O/c1-15-5-9(13-14-15)10(16)7-3-2-6(11)4-8(7)12/h2-5,10,16H,1H3
InChIKeySIOUNLDJALQIQK-UHFFFAOYSA-N
XLogP2.20
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-dichlorophenyl)-(1-phenyltriazol-4-yl)methanol
CID 53244245
(2,4-dichlorophenyl)-(6-methoxypyridazin-3-yl)methanol
CID 166178487
(2-methylthiophen-3-yl)-(1-methyltriazol-4-yl)methanol
CID 130521768
(2,4-dichlorophenyl)-(6-methyl-2-pyridinyl)methanol
CID 114281098
[1-(2,4-dichlorophenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107066602
(2-methylpyrazol-3-yl)-(1-methyltriazol-4-yl)methanol
CID 130521702
2-(2,5-dichlorophenyl)-1-(1-methyltriazol-4-yl)ethanamine
CID 112735844
(2,4-dichlorophenyl)-[4-(2,4-dichlorophenyl)-1-methylpyrrol-3-yl]methanol
CID 11452367
[1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]triazol-4-yl]-(2,4-dichlorophenyl)methanol
CID 142507762
(2,4-dichlorophenyl)-pyrazin-2-ylmethanol
CID 63970677
N-(2-amino-6-chloro-3-pyridinyl)-2-[4-[(2,4-dichlorophenyl)-hydroxymethyl]triazol-1-yl]acetamide
CID 142507859
(2,4-dichlorophenyl)-(3,5-dichlorophenyl)methanol
CID 63427541

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(1-methyltriazol-4-yl)methanol?
The IUPAC name of (2,4-dichlorophenyl)-(1-methyltriazol-4-yl)methanol (CID 166178328) is (2,4-dichlorophenyl)-(1-methyltriazol-4-yl)methanol.
What is the SMILES notation for (2,4-dichlorophenyl)-(1-methyltriazol-4-yl)methanol?
The canonical SMILES for (2,4-dichlorophenyl)-(1-methyltriazol-4-yl)methanol is Cn1cc(C(O)c2ccc(Cl)cc2Cl)nn1.
What is the InChIKey of (2,4-dichlorophenyl)-(1-methyltriazol-4-yl)methanol?
The InChIKey is SIOUNLDJALQIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3O/c1-15-5-9(13-14-15)10(16)7-3-2-6(11)4-8(7)12/h2-5,10,16H,1H3.
What are the key properties of (2,4-dichlorophenyl)-(1-methyltriazol-4-yl)methanol?
(2,4-dichlorophenyl)-(1-methyltriazol-4-yl)methanol has a molecular weight of 258.11 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-(1-methyltriazol-4-yl)methanol is sourced from PubChem (CID 166178328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).