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

C13H23N3O2 — CID 114213130

IUPAC(3-ethyltriazol-4-yl)-(1-methoxycycloheptyl)methanol
SMILESCCn1nncc1C(O)C1(OC)CCCCCC1
InChIInChI=1S/C13H23N3O2/c1-3-16-11(10-14-15-16)12(17)13(18-2)8-6-4-5-7-9-13/h10,12,17H,3-9H2,1-2H3
InChIKeyALBBVZAQSYAUBM-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.07
Rot. Bonds4

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

(3-ethyltriazol-4-yl)-(1-methoxycycloheptyl)methanol (PubChem CID 114213130) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is (3-ethyltriazol-4-yl)-(1-methoxycycloheptyl)methanol.

Molecular Properties

Compound Name(3-ethyltriazol-4-yl)-(1-methoxycycloheptyl)methanol
PubChem CID114213130
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name(3-ethyltriazol-4-yl)-(1-methoxycycloheptyl)methanol
SMILESCCn1nncc1C(O)C1(OC)CCCCCC1
InChIInChI=1S/C13H23N3O2/c1-3-16-11(10-14-15-16)12(17)13(18-2)8-6-4-5-7-9-13/h10,12,17H,3-9H2,1-2H3
InChIKeyALBBVZAQSYAUBM-UHFFFAOYSA-N
XLogP2.07
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methoxycycloheptyl)-(3-methyltriazol-4-yl)methanol
CID 114686842
(1-methoxycyclobutyl)-(3-methyltriazol-4-yl)methanol
CID 114686777
(3-ethyltriazol-4-yl)-[1-(2-methylpropyl)cyclopentyl]methanol
CID 114213614
(1-methoxycyclohexyl)-(2-propylpyrazol-3-yl)methanol
CID 116753279
(1-ethylimidazol-2-yl)-(1-methoxycyclohexyl)methanol
CID 116753476
(1-piperidin-1-ylcyclopentyl)-(3-propyltriazol-4-yl)methanol
CID 114686588
(4-bromo-1-propylpyrazol-5-yl)-(1-methoxycycloheptyl)methanol
CID 114645921
N-[(1-methoxycycloheptyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114689357
(2-ethylpyrazol-3-yl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol
CID 116755731
(1-methoxycyclohexyl)-phenylmethanol
CID 116753267
(1-methoxycycloheptyl)-(4-methyl-3-pyridinyl)methanol
CID 116756007
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methoxycycloheptyl)methanol
CID 114645923

Frequently Asked Questions

What is the IUPAC name of (3-ethyltriazol-4-yl)-(1-methoxycycloheptyl)methanol?
The IUPAC name of (3-ethyltriazol-4-yl)-(1-methoxycycloheptyl)methanol (CID 114213130) is (3-ethyltriazol-4-yl)-(1-methoxycycloheptyl)methanol.
What is the SMILES notation for (3-ethyltriazol-4-yl)-(1-methoxycycloheptyl)methanol?
The canonical SMILES for (3-ethyltriazol-4-yl)-(1-methoxycycloheptyl)methanol is CCn1nncc1C(O)C1(OC)CCCCCC1.
What is the InChIKey of (3-ethyltriazol-4-yl)-(1-methoxycycloheptyl)methanol?
The InChIKey is ALBBVZAQSYAUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-3-16-11(10-14-15-16)12(17)13(18-2)8-6-4-5-7-9-13/h10,12,17H,3-9H2,1-2H3.
What are the key properties of (3-ethyltriazol-4-yl)-(1-methoxycycloheptyl)methanol?
(3-ethyltriazol-4-yl)-(1-methoxycycloheptyl)methanol has a molecular weight of 253.35 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyltriazol-4-yl)-(1-methoxycycloheptyl)methanol is sourced from PubChem (CID 114213130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).