2-hydroxy-3-[1-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethylamino]-N,N-dipropylpropanamide

C14H27N5O3 — CID 167875965

IUPAC2-hydroxy-3-[1-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethylamino]-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)C(O)CNC(C)c1n[nH]c(=O)n1C
InChIInChI=1S/C14H27N5O3/c1-5-7-19(8-6-2)13(21)11(20)9-15-10(3)12-16-17-14(22)18(12)4/h10-11,15,20H,5-9H2,1-4H3,(H,17,22)
InChIKeyGCBMDFTYUQZPMJ-UHFFFAOYSA-N
MW313.40 g/mol
LogP-0.23
Rot. Bonds9

About 2-hydroxy-3-[1-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethylamino]-N,N-dipropylpropanamide

2-hydroxy-3-[1-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethylamino]-N,N-dipropylpropanamide (PubChem CID 167875965) has the molecular formula C14H27N5O3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-hydroxy-3-[1-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethylamino]-N,N-dipropylpropanamide.

Molecular Properties

Compound Name2-hydroxy-3-[1-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethylamino]-N,N-dipropylpropanamide
PubChem CID167875965
Molecular FormulaC14H27N5O3
Molecular Weight313.40 g/mol
Exact Mass313.21
IUPAC Name2-hydroxy-3-[1-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethylamino]-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)C(O)CNC(C)c1n[nH]c(=O)n1C
InChIInChI=1S/C14H27N5O3/c1-5-7-19(8-6-2)13(21)11(20)9-15-10(3)12-16-17-14(22)18(12)4/h10-11,15,20H,5-9H2,1-4H3,(H,17,22)
InChIKeyGCBMDFTYUQZPMJ-UHFFFAOYSA-N
XLogP-0.23
TPSA103.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[2-Hydroxypropyl(propan-2-yl)amino]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136768237
(2R)-2-hydroxy-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide
CID 137273935

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[1-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethylamino]-N,N-dipropylpropanamide?
The IUPAC name of 2-hydroxy-3-[1-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethylamino]-N,N-dipropylpropanamide (CID 167875965) is 2-hydroxy-3-[1-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethylamino]-N,N-dipropylpropanamide.
What is the SMILES notation for 2-hydroxy-3-[1-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethylamino]-N,N-dipropylpropanamide?
The canonical SMILES for 2-hydroxy-3-[1-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethylamino]-N,N-dipropylpropanamide is CCCN(CCC)C(=O)C(O)CNC(C)c1n[nH]c(=O)n1C.
What is the InChIKey of 2-hydroxy-3-[1-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethylamino]-N,N-dipropylpropanamide?
The InChIKey is GCBMDFTYUQZPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O3/c1-5-7-19(8-6-2)13(21)11(20)9-15-10(3)12-16-17-14(22)18(12)4/h10-11,15,20H,5-9H2,1-4H3,(H,17,22).
What are the key properties of 2-hydroxy-3-[1-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethylamino]-N,N-dipropylpropanamide?
2-hydroxy-3-[1-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethylamino]-N,N-dipropylpropanamide has a molecular weight of 313.40 g/mol, XLogP of -0.23, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[1-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethylamino]-N,N-dipropylpropanamide is sourced from PubChem (CID 167875965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).