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

C11H22N4O — CID 64809461

IUPAC4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)-2-methylbutan-1-ol
SMILESCCNC(C)(CO)CCn1nc(C)nc1C
InChIInChI=1S/C11H22N4O/c1-5-12-11(4,8-16)6-7-15-10(3)13-9(2)14-15/h12,16H,5-8H2,1-4H3
InChIKeyCGEYCVKIVYLPCW-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.65
Rot. Bonds6

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

4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)-2-methylbutan-1-ol (PubChem CID 64809461) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)-2-methylbutan-1-ol.

Molecular Properties

Compound Name4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)-2-methylbutan-1-ol
PubChem CID64809461
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)-2-methylbutan-1-ol
SMILESCCNC(C)(CO)CCn1nc(C)nc1C
InChIInChI=1S/C11H22N4O/c1-5-12-11(4,8-16)6-7-15-10(3)13-9(2)14-15/h12,16H,5-8H2,1-4H3
InChIKeyCGEYCVKIVYLPCW-UHFFFAOYSA-N
XLogP0.65
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 ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)-2-methylbutan-1-ol?
The IUPAC name of 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)-2-methylbutan-1-ol (CID 64809461) is 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)-2-methylbutan-1-ol.
What is the SMILES notation for 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)-2-methylbutan-1-ol?
The canonical SMILES for 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)-2-methylbutan-1-ol is CCNC(C)(CO)CCn1nc(C)nc1C.
What is the InChIKey of 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)-2-methylbutan-1-ol?
The InChIKey is CGEYCVKIVYLPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-5-12-11(4,8-16)6-7-15-10(3)13-9(2)14-15/h12,16H,5-8H2,1-4H3.
What are the key properties of 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)-2-methylbutan-1-ol?
4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)-2-methylbutan-1-ol has a molecular weight of 226.32 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 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)-2-methylbutan-1-ol is sourced from PubChem (CID 64809461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).