1-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclobutan-1-ol

C8H13N3O — CID 131059645

IUPAC1-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclobutan-1-ol
SMILESCc1nnc(C2(O)CCC2)n1C
InChIInChI=1S/C8H13N3O/c1-6-9-10-7(11(6)2)8(12)4-3-5-8/h12H,3-5H2,1-2H3
InChIKeyMUZNXOIMKQDAPZ-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.50
Rot. Bonds1

About 1-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclobutan-1-ol

1-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclobutan-1-ol (PubChem CID 131059645) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclobutan-1-ol.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclobutan-1-ol
PubChem CID131059645
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclobutan-1-ol
SMILESCc1nnc(C2(O)CCC2)n1C
InChIInChI=1S/C8H13N3O/c1-6-9-10-7(11(6)2)8(12)4-3-5-8/h12H,3-5H2,1-2H3
InChIKeyMUZNXOIMKQDAPZ-UHFFFAOYSA-N
XLogP0.50
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(3,3-Difluorocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methanol
CID 130979287
2-(5-Tert-butyl-4-methyl-1,2,4-triazol-3-yl)propan-2-ol
CID 59539687
2-(4,5-Dimethyl-1,2,4-triazol-3-yl)propan-2-ol
CID 83384673
[4-Methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol
CID 90815098
1-(4-Methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol
CID 131206061
1-(5,6,7,8,9,10-Hexahydro-[1,2,4]triazolo[4,3-a]azocin-3-yl)cyclobutan-1-ol
CID 143815071
2-(5-Ethyl-4-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol
CID 171659714
1-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methyl]-3-propylazetidin-3-ol
CID 65941163
(5-cyclobutyl-4-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 71758561
[5-(Cyclobutylmethyl)-4-ethyl-1,2,4-triazol-3-yl]methanol
CID 103167574
[5-(Cyclobutylmethyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 103167575
[5-(Cyclobutylmethyl)-4-methyl-1,2,4-triazol-3-yl]methanol
CID 103167577

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclobutan-1-ol?
The IUPAC name of 1-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclobutan-1-ol (CID 131059645) is 1-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclobutan-1-ol.
What is the SMILES notation for 1-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclobutan-1-ol?
The canonical SMILES for 1-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclobutan-1-ol is Cc1nnc(C2(O)CCC2)n1C.
What is the InChIKey of 1-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclobutan-1-ol?
The InChIKey is MUZNXOIMKQDAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6-9-10-7(11(6)2)8(12)4-3-5-8/h12H,3-5H2,1-2H3.
What are the key properties of 1-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclobutan-1-ol?
1-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclobutan-1-ol has a molecular weight of 167.21 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclobutan-1-ol is sourced from PubChem (CID 131059645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).