3-(diethylamino)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol

C13H26N4O — CID 79064254

IUPAC3-(diethylamino)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol
SMILESCCN(CC)C(C)(CC)C(O)Cc1ncnn1C
InChIInChI=1S/C13H26N4O/c1-6-13(4,17(7-2)8-3)11(18)9-12-14-10-15-16(12)5/h10-11,18H,6-9H2,1-5H3
InChIKeyKFOQUPXKKIIIQZ-UHFFFAOYSA-N
MW254.38 g/mol
LogP1.23
Rot. Bonds7

About 3-(diethylamino)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol

3-(diethylamino)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol (PubChem CID 79064254) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 3-(diethylamino)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol.

Molecular Properties

Compound Name3-(diethylamino)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol
PubChem CID79064254
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name3-(diethylamino)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol
SMILESCCN(CC)C(C)(CC)C(O)Cc1ncnn1C
InChIInChI=1S/C13H26N4O/c1-6-13(4,17(7-2)8-3)11(18)9-12-14-10-15-16(12)5/h10-11,18H,6-9H2,1-5H3
InChIKeyKFOQUPXKKIIIQZ-UHFFFAOYSA-N
XLogP1.23
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(diethylamino)-3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol
CID 79061531
1-chloro-1,1-difluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol
CID 112575167
3,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 104997860
3-(diethylamino)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one
CID 79064365
N,3,3-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 104997587
N,N-diethyl-2-hydrazinyl-3-methyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-3-amine
CID 105240944
1,1-difluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol
CID 112575472
3-(diethylamino)-3-methyl-1-(4-methylphenyl)pentan-2-ol
CID 79062947
3-N,3-N,3-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)butane-2,3-diamine
CID 79052789
1-N,1-N,3-N-triethyl-4-(2-methyl-1,2,4-triazol-3-yl)butane-1,3-diamine
CID 79086953
2-(diethylamino)-2-methyl-1-(1-propylimidazol-2-yl)butan-1-ol
CID 79064029
2-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 112562610

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol?
The IUPAC name of 3-(diethylamino)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol (CID 79064254) is 3-(diethylamino)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol.
What is the SMILES notation for 3-(diethylamino)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol?
The canonical SMILES for 3-(diethylamino)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol is CCN(CC)C(C)(CC)C(O)Cc1ncnn1C.
What is the InChIKey of 3-(diethylamino)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol?
The InChIKey is KFOQUPXKKIIIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-6-13(4,17(7-2)8-3)11(18)9-12-14-10-15-16(12)5/h10-11,18H,6-9H2,1-5H3.
What are the key properties of 3-(diethylamino)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol?
3-(diethylamino)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol has a molecular weight of 254.38 g/mol, XLogP of 1.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol is sourced from PubChem (CID 79064254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).