2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)propan-1-ol

C12H22N4O — CID 64811768

IUPAC2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)propan-1-ol
SMILESCCNC(CO)(Cn1nc(C)nc1C)C1CC1
InChIInChI=1S/C12H22N4O/c1-4-13-12(8-17,11-5-6-11)7-16-10(3)14-9(2)15-16/h11,13,17H,4-8H2,1-3H3
InChIKeyKTXWYUTVJDTRDT-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.65
Rot. Bonds6

About 2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)propan-1-ol

2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)propan-1-ol (PubChem CID 64811768) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)propan-1-ol
PubChem CID64811768
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)propan-1-ol
SMILESCCNC(CO)(Cn1nc(C)nc1C)C1CC1
InChIInChI=1S/C12H22N4O/c1-4-13-12(8-17,11-5-6-11)7-16-10(3)14-9(2)15-16/h11,13,17H,4-8H2,1-3H3
InChIKeyKTXWYUTVJDTRDT-UHFFFAOYSA-N
XLogP0.65
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)propan-1-ol (CID 64811768) is 2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)propan-1-ol is CCNC(CO)(Cn1nc(C)nc1C)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)propan-1-ol?
The InChIKey is KTXWYUTVJDTRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-13-12(8-17,11-5-6-11)7-16-10(3)14-9(2)15-16/h11,13,17H,4-8H2,1-3H3.
What are the key properties of 2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)propan-1-ol?
2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)propan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)propan-1-ol is sourced from PubChem (CID 64811768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).