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

C11H22N4O — CID 66040082

IUPAC1-(ethylamino)-2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol
SMILESCCNCC(C)(O)Cc1ncnn1C(C)C
InChIInChI=1S/C11H22N4O/c1-5-12-7-11(4,16)6-10-13-8-14-15(10)9(2)3/h8-9,12,16H,5-7H2,1-4H3
InChIKeyUUPOHXQLLWAVBK-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.76
Rot. Bonds6

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

1-(ethylamino)-2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol (PubChem CID 66040082) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(ethylamino)-2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-(ethylamino)-2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol
PubChem CID66040082
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name1-(ethylamino)-2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol
SMILESCCNCC(C)(O)Cc1ncnn1C(C)C
InChIInChI=1S/C11H22N4O/c1-5-12-7-11(4,16)6-10-13-8-14-15(10)9(2)3/h8-9,12,16H,5-7H2,1-4H3
InChIKeyUUPOHXQLLWAVBK-UHFFFAOYSA-N
XLogP0.76
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol?
The IUPAC name of 1-(ethylamino)-2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol (CID 66040082) is 1-(ethylamino)-2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol.
What is the SMILES notation for 1-(ethylamino)-2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol?
The canonical SMILES for 1-(ethylamino)-2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol is CCNCC(C)(O)Cc1ncnn1C(C)C.
What is the InChIKey of 1-(ethylamino)-2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol?
The InChIKey is UUPOHXQLLWAVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-5-12-7-11(4,16)6-10-13-8-14-15(10)9(2)3/h8-9,12,16H,5-7H2,1-4H3.
What are the key properties of 1-(ethylamino)-2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol?
1-(ethylamino)-2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol has a molecular weight of 226.32 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol is sourced from PubChem (CID 66040082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).