2-cyclopropyl-2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol

C12H21N3O — CID 83150451

IUPAC2-cyclopropyl-2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol
SMILESCC(C)n1ncnc1CC(C)(CO)C1CC1
InChIInChI=1S/C12H21N3O/c1-9(2)15-11(13-8-14-15)6-12(3,7-16)10-4-5-10/h8-10,16H,4-7H2,1-3H3
InChIKeyDDYYYOIYXWLATJ-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.81
Rot. Bonds5

About 2-cyclopropyl-2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol

2-cyclopropyl-2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol (PubChem CID 83150451) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-cyclopropyl-2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol
PubChem CID83150451
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-cyclopropyl-2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol
SMILESCC(C)n1ncnc1CC(C)(CO)C1CC1
InChIInChI=1S/C12H21N3O/c1-9(2)15-11(13-8-14-15)6-12(3,7-16)10-4-5-10/h8-10,16H,4-7H2,1-3H3
InChIKeyDDYYYOIYXWLATJ-UHFFFAOYSA-N
XLogP1.81
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol
CID 106506897
2,3-dimethyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]butanoic acid
CID 83149402
3-cyclopropyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-ol
CID 115813961
2-(2-methylphenyl)-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]propane-1,3-diol
CID 79444656
2-(4-bromophenyl)-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]propane-1,3-diol
CID 79445514
1-cyclobutyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol
CID 103170087
1-(ethylamino)-2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol
CID 66040082
1-(2-propan-2-yl-1,2,4-triazol-3-yl)butane-2,3-diol
CID 103452773
2,3-dimethyl-N-propan-2-yl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]butan-1-amine
CID 83151190
2-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-(propylamino)propan-2-ol
CID 66039620
3-cyclopropyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-one
CID 114981433
[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cycloheptyl]methanamine
CID 81010403

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol?
The IUPAC name of 2-cyclopropyl-2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol (CID 83150451) is 2-cyclopropyl-2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol is CC(C)n1ncnc1CC(C)(CO)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol?
The InChIKey is DDYYYOIYXWLATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(2)15-11(13-8-14-15)6-12(3,7-16)10-4-5-10/h8-10,16H,4-7H2,1-3H3.
What are the key properties of 2-cyclopropyl-2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol?
2-cyclopropyl-2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol is sourced from PubChem (CID 83150451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).