3-(cyclobutylmethyl)-4-(2-methoxyethyl)-1,2,4-triazole

C10H17N3O — CID 103167582

IUPAC3-(cyclobutylmethyl)-4-(2-methoxyethyl)-1,2,4-triazole
SMILESCOCCn1cnnc1CC1CCC1
InChIInChI=1S/C10H17N3O/c1-14-6-5-13-8-11-12-10(13)7-9-3-2-4-9/h8-9H,2-7H2,1H3
InChIKeyNYLGTWOJPZEWSX-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.27
Rot. Bonds5

About 3-(cyclobutylmethyl)-4-(2-methoxyethyl)-1,2,4-triazole

3-(cyclobutylmethyl)-4-(2-methoxyethyl)-1,2,4-triazole (PubChem CID 103167582) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-(cyclobutylmethyl)-4-(2-methoxyethyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-(cyclobutylmethyl)-4-(2-methoxyethyl)-1,2,4-triazole
PubChem CID103167582
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-(cyclobutylmethyl)-4-(2-methoxyethyl)-1,2,4-triazole
SMILESCOCCn1cnnc1CC1CCC1
InChIInChI=1S/C10H17N3O/c1-14-6-5-13-8-11-12-10(13)7-9-3-2-4-9/h8-9H,2-7H2,1H3
InChIKeyNYLGTWOJPZEWSX-UHFFFAOYSA-N
XLogP1.27
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2-Methoxyethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine
CID 73439203
4-(2-Methoxyethyl)-3-[3-(trifluoromethyl)cyclohexyl]-1,2,4-triazole
CID 81935126
4-(2-Methoxyethyl)-3-[4-(trifluoromethyl)cyclohexyl]-1,2,4-triazole
CID 81935164
3-(4,4-Difluorocyclohexyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 81935211
4-(2-Methoxyethyl)-3-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazole
CID 104622982
3-(3,3-Difluorocyclohexyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 114226807
4-[4-(2-Methoxyethyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine
CID 62711583
3-(4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl)cyclohexanamine
CID 63044428
4-(2-Methoxyethyl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-triazole
CID 71234324
4-(2-Methoxyethyl)-3-(4-methylcyclohexyl)-1,2,4-triazole
CID 71235965
3-Tert-butyl-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393499
3-Ethyl-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393588

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethyl)-4-(2-methoxyethyl)-1,2,4-triazole?
The IUPAC name of 3-(cyclobutylmethyl)-4-(2-methoxyethyl)-1,2,4-triazole (CID 103167582) is 3-(cyclobutylmethyl)-4-(2-methoxyethyl)-1,2,4-triazole.
What is the SMILES notation for 3-(cyclobutylmethyl)-4-(2-methoxyethyl)-1,2,4-triazole?
The canonical SMILES for 3-(cyclobutylmethyl)-4-(2-methoxyethyl)-1,2,4-triazole is COCCn1cnnc1CC1CCC1.
What is the InChIKey of 3-(cyclobutylmethyl)-4-(2-methoxyethyl)-1,2,4-triazole?
The InChIKey is NYLGTWOJPZEWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-14-6-5-13-8-11-12-10(13)7-9-3-2-4-9/h8-9H,2-7H2,1H3.
What are the key properties of 3-(cyclobutylmethyl)-4-(2-methoxyethyl)-1,2,4-triazole?
3-(cyclobutylmethyl)-4-(2-methoxyethyl)-1,2,4-triazole has a molecular weight of 195.27 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethyl)-4-(2-methoxyethyl)-1,2,4-triazole is sourced from PubChem (CID 103167582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).