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

C10H17N3O — CID 130952187

IUPAC1-(4,5-dimethyl-1,2,4-triazol-3-yl)-2,3-dimethylcyclobutan-1-ol
SMILESCc1nnc(C2(O)CC(C)C2C)n1C
InChIInChI=1S/C10H17N3O/c1-6-5-10(14,7(6)2)9-12-11-8(3)13(9)4/h6-7,14H,5H2,1-4H3
InChIKeyYDXQRTPBUBTYEF-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.99
Rot. Bonds1

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

1-(4,5-dimethyl-1,2,4-triazol-3-yl)-2,3-dimethylcyclobutan-1-ol (PubChem CID 130952187) 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)-2,3-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,2,4-triazol-3-yl)-2,3-dimethylcyclobutan-1-ol
PubChem CID130952187
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name1-(4,5-dimethyl-1,2,4-triazol-3-yl)-2,3-dimethylcyclobutan-1-ol
SMILESCc1nnc(C2(O)CC(C)C2C)n1C
InChIInChI=1S/C10H17N3O/c1-6-5-10(14,7(6)2)9-12-11-8(3)13(9)4/h6-7,14H,5H2,1-4H3
InChIKeyYDXQRTPBUBTYEF-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
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-Dimethyl-1,2,4-triazol-1-yl)methyl]cyclopentan-1-ol
CID 65212577
1-[(3,5-Diethyl-1,2,4-triazol-1-yl)methyl]cyclopentan-1-ol
CID 65701993
(5-cyclobutyl-4-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 71758561
(4-Ethyl-5-heptan-4-yl-1,2,4-triazol-3-yl)methanol
CID 82995674
(5-Heptan-4-yl-4-propyl-1,2,4-triazol-3-yl)methanol
CID 82995675
(5-Heptan-4-yl-4-methyl-1,2,4-triazol-3-yl)methanol
CID 82995748
[5-Heptan-4-yl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol
CID 82995749
1-(4-Methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol
CID 83385158
[5-(Cyclobutylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
CID 103167568
[5-[(3-Ethoxycyclobutyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]methanol
CID 103167573
[5-(Cyclobutylmethyl)-4-ethyl-1,2,4-triazol-3-yl]methanol
CID 103167574

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,2,4-triazol-3-yl)-2,3-dimethylcyclobutan-1-ol?
The IUPAC name of 1-(4,5-dimethyl-1,2,4-triazol-3-yl)-2,3-dimethylcyclobutan-1-ol (CID 130952187) is 1-(4,5-dimethyl-1,2,4-triazol-3-yl)-2,3-dimethylcyclobutan-1-ol.
What is the SMILES notation for 1-(4,5-dimethyl-1,2,4-triazol-3-yl)-2,3-dimethylcyclobutan-1-ol?
The canonical SMILES for 1-(4,5-dimethyl-1,2,4-triazol-3-yl)-2,3-dimethylcyclobutan-1-ol is Cc1nnc(C2(O)CC(C)C2C)n1C.
What is the InChIKey of 1-(4,5-dimethyl-1,2,4-triazol-3-yl)-2,3-dimethylcyclobutan-1-ol?
The InChIKey is YDXQRTPBUBTYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-6-5-10(14,7(6)2)9-12-11-8(3)13(9)4/h6-7,14H,5H2,1-4H3.
What are the key properties of 1-(4,5-dimethyl-1,2,4-triazol-3-yl)-2,3-dimethylcyclobutan-1-ol?
1-(4,5-dimethyl-1,2,4-triazol-3-yl)-2,3-dimethylcyclobutan-1-ol has a molecular weight of 195.27 g/mol, XLogP of 0.99, 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)-2,3-dimethylcyclobutan-1-ol is sourced from PubChem (CID 130952187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).