4-ethyl-3-(1-methoxycyclopentyl)-1,2,4-triazole

C10H17N3O — CID 164660521

IUPAC4-ethyl-3-(1-methoxycyclopentyl)-1,2,4-triazole
SMILESCCn1cnnc1C1(OC)CCCC1
InChIInChI=1S/C10H17N3O/c1-3-13-8-11-12-9(13)10(14-2)6-4-5-7-10/h8H,3-7H2,1-2H3
InChIKeyVDVUJEGOLOZWDF-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.71
Rot. Bonds3

About 4-ethyl-3-(1-methoxycyclopentyl)-1,2,4-triazole

4-ethyl-3-(1-methoxycyclopentyl)-1,2,4-triazole (PubChem CID 164660521) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-ethyl-3-(1-methoxycyclopentyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-ethyl-3-(1-methoxycyclopentyl)-1,2,4-triazole
PubChem CID164660521
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-ethyl-3-(1-methoxycyclopentyl)-1,2,4-triazole
SMILESCCn1cnnc1C1(OC)CCCC1
InChIInChI=1S/C10H17N3O/c1-3-13-8-11-12-9(13)10(14-2)6-4-5-7-10/h8H,3-7H2,1-2H3
InChIKeyVDVUJEGOLOZWDF-UHFFFAOYSA-N
XLogP1.71
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethyl-1,2,4-triazol-3-yl)cyclopentan-1-amine
CID 62694271
[1-(4-ethyl-1,2,4-triazol-3-yl)cyclobutyl]methanamine
CID 115447062
4-ethyl-4-(4-ethyl-1,2,4-triazol-3-yl)piperidine
CID 63126328
4-(4-ethyl-1,2,4-triazol-3-yl)oxan-4-amine
CID 115293381
3-(1-methylcyclopentyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115395553
1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine
CID 130987229
4-ethyl-3-methylsulfanyl-1,2,4-triazole
CID 39969095
2-(4-ethyl-1,2,4-triazol-3-yl)-2-methoxyethanamine
CID 106110826
3-(cycloheptylmethyl)-4-ethyl-1,2,4-triazole
CID 114459441
1-[8-(4-ethyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-2-methoxyethanone
CID 155882181
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111744931
4-ethyl-3-methylsulfonyl-1,2,4-triazole
CID 71306213

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(1-methoxycyclopentyl)-1,2,4-triazole?
The IUPAC name of 4-ethyl-3-(1-methoxycyclopentyl)-1,2,4-triazole (CID 164660521) is 4-ethyl-3-(1-methoxycyclopentyl)-1,2,4-triazole.
What is the SMILES notation for 4-ethyl-3-(1-methoxycyclopentyl)-1,2,4-triazole?
The canonical SMILES for 4-ethyl-3-(1-methoxycyclopentyl)-1,2,4-triazole is CCn1cnnc1C1(OC)CCCC1.
What is the InChIKey of 4-ethyl-3-(1-methoxycyclopentyl)-1,2,4-triazole?
The InChIKey is VDVUJEGOLOZWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-13-8-11-12-9(13)10(14-2)6-4-5-7-10/h8H,3-7H2,1-2H3.
What are the key properties of 4-ethyl-3-(1-methoxycyclopentyl)-1,2,4-triazole?
4-ethyl-3-(1-methoxycyclopentyl)-1,2,4-triazole has a molecular weight of 195.27 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(1-methoxycyclopentyl)-1,2,4-triazole is sourced from PubChem (CID 164660521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).