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

C10H17N3O — CID 130942661

IUPAC1-(4,5-dimethyl-1,2,4-triazol-3-yl)-2,2-dimethylcyclobutan-1-ol
SMILESCc1nnc(C2(O)CCC2(C)C)n1C
InChIInChI=1S/C10H17N3O/c1-7-11-12-8(13(7)4)10(14)6-5-9(10,2)3/h14H,5-6H2,1-4H3
InChIKeyVXRRGZNLFDFYDX-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.13
Rot. Bonds1

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

1-(4,5-dimethyl-1,2,4-triazol-3-yl)-2,2-dimethylcyclobutan-1-ol (PubChem CID 130942661) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,2,4-triazol-3-yl)-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,2,4-triazol-3-yl)-2,2-dimethylcyclobutan-1-ol
PubChem CID130942661
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name1-(4,5-dimethyl-1,2,4-triazol-3-yl)-2,2-dimethylcyclobutan-1-ol
SMILESCc1nnc(C2(O)CCC2(C)C)n1C
InChIInChI=1S/C10H17N3O/c1-7-11-12-8(13(7)4)10(14)6-5-9(10,2)3/h14H,5-6H2,1-4H3
InChIKeyVXRRGZNLFDFYDX-UHFFFAOYSA-N
XLogP1.13
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5,6,7,8,9,10-Hexahydro-[1,2,4]triazolo[4,3-a]azocin-3-yl)cyclobutan-1-ol
CID 143815071
1-[(3,5-Diethyl-1,2,4-triazol-1-yl)methyl]cyclopentan-1-ol
CID 65701993
[4-Ethyl-5-[(1-methoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 103558664
[5-[(1-Methoxycyclobutyl)methyl]-4-methyl-1,2,4-triazol-3-yl]methanol
CID 103558665
1-[[Methyl-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]amino]methyl]cyclopentan-1-ol
CID 109900511
1-[[(4-Ethyl-5-methyl-1,2,4-triazol-3-yl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 112416860
[4-Ethyl-5-(2,4,4-trimethylpentyl)-1,2,4-triazol-3-yl]methanol
CID 113301685
[4-Propyl-5-(2,3,3-trimethylbutyl)-1,2,4-triazol-3-yl]methanol
CID 113301696
[5-[(1-Methoxycyclobutyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol
CID 113830549
[4-Ethyl-5-(2,3,3-trimethylbutyl)-1,2,4-triazol-3-yl]methanol
CID 115396603
[4-Propyl-5-(2,4,4-trimethylpentyl)-1,2,4-triazol-3-yl]methanol
CID 115396900
[4-Methyl-5-(2,3,3-trimethylbutyl)-1,2,4-triazol-3-yl]methanol
CID 115396932

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,2,4-triazol-3-yl)-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 1-(4,5-dimethyl-1,2,4-triazol-3-yl)-2,2-dimethylcyclobutan-1-ol (CID 130942661) is 1-(4,5-dimethyl-1,2,4-triazol-3-yl)-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 1-(4,5-dimethyl-1,2,4-triazol-3-yl)-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 1-(4,5-dimethyl-1,2,4-triazol-3-yl)-2,2-dimethylcyclobutan-1-ol is Cc1nnc(C2(O)CCC2(C)C)n1C.
What is the InChIKey of 1-(4,5-dimethyl-1,2,4-triazol-3-yl)-2,2-dimethylcyclobutan-1-ol?
The InChIKey is VXRRGZNLFDFYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7-11-12-8(13(7)4)10(14)6-5-9(10,2)3/h14H,5-6H2,1-4H3.
What are the key properties of 1-(4,5-dimethyl-1,2,4-triazol-3-yl)-2,2-dimethylcyclobutan-1-ol?
1-(4,5-dimethyl-1,2,4-triazol-3-yl)-2,2-dimethylcyclobutan-1-ol has a molecular weight of 195.27 g/mol, XLogP of 1.13, 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)-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 130942661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).