(2-chlorofuran-3-yl)-(3-methyltriazol-4-yl)methanol

C8H8ClN3O2 — CID 106694030

IUPAC(2-chlorofuran-3-yl)-(3-methyltriazol-4-yl)methanol
SMILESCn1nncc1C(O)c1ccoc1Cl
InChIInChI=1S/C8H8ClN3O2/c1-12-6(4-10-11-12)7(13)5-2-3-14-8(5)9/h2-4,7,13H,1H3
InChIKeyQVMVVMDSTYRATO-UHFFFAOYSA-N
MW213.62 g/mol
LogP1.14
Rot. Bonds2

About (2-chlorofuran-3-yl)-(3-methyltriazol-4-yl)methanol

(2-chlorofuran-3-yl)-(3-methyltriazol-4-yl)methanol (PubChem CID 106694030) has the molecular formula C8H8ClN3O2 and a molecular weight of 213.62 g/mol. Its IUPAC name is (2-chlorofuran-3-yl)-(3-methyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(2-chlorofuran-3-yl)-(3-methyltriazol-4-yl)methanol
PubChem CID106694030
Molecular FormulaC8H8ClN3O2
Molecular Weight213.62 g/mol
Exact Mass213.03
IUPAC Name(2-chlorofuran-3-yl)-(3-methyltriazol-4-yl)methanol
SMILESCn1nncc1C(O)c1ccoc1Cl
InChIInChI=1S/C8H8ClN3O2/c1-12-6(4-10-11-12)7(13)5-2-3-14-8(5)9/h2-4,7,13H,1H3
InChIKeyQVMVVMDSTYRATO-UHFFFAOYSA-N
XLogP1.14
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.62
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-chlorophenyl)-(3-methyltriazol-4-yl)methanol
CID 114684801
(3-methyltriazol-4-yl)-pyridin-2-ylmethanol
CID 114684772
(2-methoxy-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
CID 105128734
[2-(difluoromethoxy)phenyl]-(3-methyltriazol-4-yl)methanol
CID 114684708
(5-chloroquinolin-8-yl)-(3-methyltriazol-4-yl)methanol
CID 114685420
(4-chlorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol
CID 114685175
(3-chloro-5-methylphenyl)-(3-methyltriazol-4-yl)methanol
CID 115836020
(3-bromo-5-chlorophenyl)-(3-methyltriazol-4-yl)methanol
CID 107947817
(2-chlorofuran-3-yl)-(5-methyl-3-pyridinyl)methanol
CID 106693944
(2-chlorophenyl)-(3-methyltriazol-4-yl)methanamine
CID 114687461
[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(3-methyltriazol-4-yl)methanol
CID 114685209
(2-chlorofuran-3-yl)-(cyclohexen-1-yl)methanol
CID 106694120

Frequently Asked Questions

What is the IUPAC name of (2-chlorofuran-3-yl)-(3-methyltriazol-4-yl)methanol?
The IUPAC name of (2-chlorofuran-3-yl)-(3-methyltriazol-4-yl)methanol (CID 106694030) is (2-chlorofuran-3-yl)-(3-methyltriazol-4-yl)methanol.
What is the SMILES notation for (2-chlorofuran-3-yl)-(3-methyltriazol-4-yl)methanol?
The canonical SMILES for (2-chlorofuran-3-yl)-(3-methyltriazol-4-yl)methanol is Cn1nncc1C(O)c1ccoc1Cl.
What is the InChIKey of (2-chlorofuran-3-yl)-(3-methyltriazol-4-yl)methanol?
The InChIKey is QVMVVMDSTYRATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O2/c1-12-6(4-10-11-12)7(13)5-2-3-14-8(5)9/h2-4,7,13H,1H3.
What are the key properties of (2-chlorofuran-3-yl)-(3-methyltriazol-4-yl)methanol?
(2-chlorofuran-3-yl)-(3-methyltriazol-4-yl)methanol has a molecular weight of 213.62 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorofuran-3-yl)-(3-methyltriazol-4-yl)methanol is sourced from PubChem (CID 106694030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).