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

C12H24N4O — CID 64809464

IUPAC5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)-2-methylpentan-1-ol
SMILESCCNC(C)(CO)CCCn1nc(C)nc1C
InChIInChI=1S/C12H24N4O/c1-5-13-12(4,9-17)7-6-8-16-11(3)14-10(2)15-16/h13,17H,5-9H2,1-4H3
InChIKeyTUNVTKVLGSBSRG-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.04
Rot. Bonds7

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

5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)-2-methylpentan-1-ol (PubChem CID 64809464) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)-2-methylpentan-1-ol
PubChem CID64809464
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)-2-methylpentan-1-ol
SMILESCCNC(C)(CO)CCCn1nc(C)nc1C
InChIInChI=1S/C12H24N4O/c1-5-13-12(4,9-17)7-6-8-16-11(3)14-10(2)15-16/h13,17H,5-9H2,1-4H3
InChIKeyTUNVTKVLGSBSRG-UHFFFAOYSA-N
XLogP1.04
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)-2-methylpentan-1-ol?
The IUPAC name of 5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)-2-methylpentan-1-ol (CID 64809464) is 5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)-2-methylpentan-1-ol.
What is the SMILES notation for 5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)-2-methylpentan-1-ol?
The canonical SMILES for 5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)-2-methylpentan-1-ol is CCNC(C)(CO)CCCn1nc(C)nc1C.
What is the InChIKey of 5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)-2-methylpentan-1-ol?
The InChIKey is TUNVTKVLGSBSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-5-13-12(4,9-17)7-6-8-16-11(3)14-10(2)15-16/h13,17H,5-9H2,1-4H3.
What are the key properties of 5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)-2-methylpentan-1-ol?
5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)-2-methylpentan-1-ol has a molecular weight of 240.35 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)-2-methylpentan-1-ol is sourced from PubChem (CID 64809464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).