(1-methoxycycloheptyl)-(3-methyltriazol-4-yl)methanol

C12H21N3O2 — CID 114686842

IUPAC(1-methoxycycloheptyl)-(3-methyltriazol-4-yl)methanol
SMILESCOC1(C(O)c2cnnn2C)CCCCCC1
InChIInChI=1S/C12H21N3O2/c1-15-10(9-13-14-15)11(16)12(17-2)7-5-3-4-6-8-12/h9,11,16H,3-8H2,1-2H3
InChIKeySLYHNJDVVJWPOE-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.59
Rot. Bonds3

About (1-methoxycycloheptyl)-(3-methyltriazol-4-yl)methanol

(1-methoxycycloheptyl)-(3-methyltriazol-4-yl)methanol (PubChem CID 114686842) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is (1-methoxycycloheptyl)-(3-methyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(1-methoxycycloheptyl)-(3-methyltriazol-4-yl)methanol
PubChem CID114686842
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name(1-methoxycycloheptyl)-(3-methyltriazol-4-yl)methanol
SMILESCOC1(C(O)c2cnnn2C)CCCCCC1
InChIInChI=1S/C12H21N3O2/c1-15-10(9-13-14-15)11(16)12(17-2)7-5-3-4-6-8-12/h9,11,16H,3-8H2,1-2H3
InChIKeySLYHNJDVVJWPOE-UHFFFAOYSA-N
XLogP1.59
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methoxycyclobutyl)-(3-methyltriazol-4-yl)methanol
CID 114686777
(3-ethyltriazol-4-yl)-(1-methoxycycloheptyl)methanol
CID 114213130
N-[(1-methoxycycloheptyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114689357
[(1-methoxycyclobutyl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105270277
(1-ethoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanol
CID 114686834
(1-methoxycyclopentyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114645508
(1-methoxycyclohexyl)-(2-propylpyrazol-3-yl)methanol
CID 116753279
(1-methoxycyclohexyl)-phenylmethanol
CID 116753267
1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114689347
(1-methoxycycloheptyl)-(4-methyl-3-pyridinyl)methanol
CID 116756007
(4-amino-3-pyridinyl)-(1-methoxycycloheptyl)methanol
CID 116756029
2-cyclohexyl-2-methoxy-1-(3-methyltriazol-4-yl)ethanol
CID 114686845

Frequently Asked Questions

What is the IUPAC name of (1-methoxycycloheptyl)-(3-methyltriazol-4-yl)methanol?
The IUPAC name of (1-methoxycycloheptyl)-(3-methyltriazol-4-yl)methanol (CID 114686842) is (1-methoxycycloheptyl)-(3-methyltriazol-4-yl)methanol.
What is the SMILES notation for (1-methoxycycloheptyl)-(3-methyltriazol-4-yl)methanol?
The canonical SMILES for (1-methoxycycloheptyl)-(3-methyltriazol-4-yl)methanol is COC1(C(O)c2cnnn2C)CCCCCC1.
What is the InChIKey of (1-methoxycycloheptyl)-(3-methyltriazol-4-yl)methanol?
The InChIKey is SLYHNJDVVJWPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-15-10(9-13-14-15)11(16)12(17-2)7-5-3-4-6-8-12/h9,11,16H,3-8H2,1-2H3.
What are the key properties of (1-methoxycycloheptyl)-(3-methyltriazol-4-yl)methanol?
(1-methoxycycloheptyl)-(3-methyltriazol-4-yl)methanol has a molecular weight of 239.32 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycycloheptyl)-(3-methyltriazol-4-yl)methanol is sourced from PubChem (CID 114686842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).