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

C14H28N4O — CID 79061531

IUPAC3-(diethylamino)-3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol
SMILESCCN(CC)C(CC)(CC)C(O)Cc1ncnn1C
InChIInChI=1S/C14H28N4O/c1-6-14(7-2,18(8-3)9-4)12(19)10-13-15-11-16-17(13)5/h11-12,19H,6-10H2,1-5H3
InChIKeyMUHCLNOXRYJRDK-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.62
Rot. Bonds8

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

3-(diethylamino)-3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol (PubChem CID 79061531) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-(diethylamino)-3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol.

Molecular Properties

Compound Name3-(diethylamino)-3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol
PubChem CID79061531
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name3-(diethylamino)-3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol
SMILESCCN(CC)C(CC)(CC)C(O)Cc1ncnn1C
InChIInChI=1S/C14H28N4O/c1-6-14(7-2,18(8-3)9-4)12(19)10-13-15-11-16-17(13)5/h11-12,19H,6-10H2,1-5H3
InChIKeyMUHCLNOXRYJRDK-UHFFFAOYSA-N
XLogP1.62
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(diethylamino)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol
CID 79064254
1-chloro-1,1-difluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol
CID 112575167
3-(diethylamino)-3-ethyl-1-(1-propylimidazol-2-yl)pentan-2-ol
CID 79752739
3-(dimethylamino)-3-ethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol
CID 79061121
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
1,1-difluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol
CID 112575472
3-(diethylamino)-3-ethyl-1-(furan-3-yl)pentan-2-ol
CID 83175769
N,3,3-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 104997587
1-(2-methyl-1,2,4-triazol-3-yl)-3-propan-2-yloxypropan-2-ol
CID 105107171
2-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 112562610
N,N,3-triethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-2-hydrazinylpentan-3-amine
CID 105242029

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol?
The IUPAC name of 3-(diethylamino)-3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol (CID 79061531) is 3-(diethylamino)-3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol.
What is the SMILES notation for 3-(diethylamino)-3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol?
The canonical SMILES for 3-(diethylamino)-3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol is CCN(CC)C(CC)(CC)C(O)Cc1ncnn1C.
What is the InChIKey of 3-(diethylamino)-3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol?
The InChIKey is MUHCLNOXRYJRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-6-14(7-2,18(8-3)9-4)12(19)10-13-15-11-16-17(13)5/h11-12,19H,6-10H2,1-5H3.
What are the key properties of 3-(diethylamino)-3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol?
3-(diethylamino)-3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol has a molecular weight of 268.40 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol is sourced from PubChem (CID 79061531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).