3-[4-(4-methyl-3-oxopentyl)triazol-1-yl]-N-propylpropanamide;molecular hydrogen

C14H26N4O2 — CID 178007494

IUPAC3-[4-(4-methyl-3-oxopentyl)triazol-1-yl]-N-propylpropanamide;molecular hydrogen
SMILESCCCNC(=O)CCn1cc(CCC(=O)C(C)C)nn1.[H][H]
InChIInChI=1S/C14H24N4O2.H2/c1-4-8-15-14(20)7-9-18-10-12(16-17-18)5-6-13(19)11(2)3;/h10-11H,4-9H2,1-3H3,(H,15,20);1H
InChIKeyFVLUEADNSJOZNS-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.60
Rot. Bonds9

About 3-[4-(4-methyl-3-oxopentyl)triazol-1-yl]-N-propylpropanamide;molecular hydrogen

3-[4-(4-methyl-3-oxopentyl)triazol-1-yl]-N-propylpropanamide;molecular hydrogen (PubChem CID 178007494) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-[4-(4-methyl-3-oxopentyl)triazol-1-yl]-N-propylpropanamide;molecular hydrogen.

Molecular Properties

Compound Name3-[4-(4-methyl-3-oxopentyl)triazol-1-yl]-N-propylpropanamide;molecular hydrogen
PubChem CID178007494
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name3-[4-(4-methyl-3-oxopentyl)triazol-1-yl]-N-propylpropanamide;molecular hydrogen
SMILESCCCNC(=O)CCn1cc(CCC(=O)C(C)C)nn1.[H][H]
InChIInChI=1S/C14H24N4O2.H2/c1-4-8-15-14(20)7-9-18-10-12(16-17-18)5-6-13(19)11(2)3;/h10-11H,4-9H2,1-3H3,(H,15,20);1H
InChIKeyFVLUEADNSJOZNS-UHFFFAOYSA-N
XLogP1.60
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-1-[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]pentan-3-one
CID 167447960
N-ethyl-3-[4-(2-hydroxyethyl)triazol-1-yl]propanamide
CID 62399822
2-methyl-7-[4-[2-(propan-2-ylamino)ethyl]triazol-1-yl]heptan-3-one
CID 158277877
2-[4-(2-hydroxyethyl)triazol-1-yl]-N-propylacetamide
CID 62399435
2-(iodoamino)-3-[1-(4-methyl-3-oxopentyl)triazol-4-yl]propanamide
CID 166706142
N-[3-[4-(aminomethyl)triazol-1-yl]propyl]pentanamide
CID 167455307
4-methyl-1-[2-[1-(2-methylpropyl)triazol-4-yl]ethylamino]pentan-3-one
CID 169289986
2-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-N-propylacetamide
CID 66269035
N-[2-[3-[ethyl-[3-oxo-3-(propylamino)propyl]amino]propanoylamino]ethyl]-3-[1-[2-[[2-[2-[2-[2-oxopropyl(propyl)amino]ethylamino]ethyl-propylamino]acetyl]amino]ethyl]triazol-4-yl]propanamide
CID 90277167
3-(1-nonyltriazol-4-yl)propanoic acid
CID 107460574
4-[1-(3-oxobutyl)triazol-4-yl]butan-2-one
CID 58003253
3-[1-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]triazol-4-yl]propanoic acid
CID 107460973

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methyl-3-oxopentyl)triazol-1-yl]-N-propylpropanamide;molecular hydrogen?
The IUPAC name of 3-[4-(4-methyl-3-oxopentyl)triazol-1-yl]-N-propylpropanamide;molecular hydrogen (CID 178007494) is 3-[4-(4-methyl-3-oxopentyl)triazol-1-yl]-N-propylpropanamide;molecular hydrogen.
What is the SMILES notation for 3-[4-(4-methyl-3-oxopentyl)triazol-1-yl]-N-propylpropanamide;molecular hydrogen?
The canonical SMILES for 3-[4-(4-methyl-3-oxopentyl)triazol-1-yl]-N-propylpropanamide;molecular hydrogen is CCCNC(=O)CCn1cc(CCC(=O)C(C)C)nn1.[H][H].
What is the InChIKey of 3-[4-(4-methyl-3-oxopentyl)triazol-1-yl]-N-propylpropanamide;molecular hydrogen?
The InChIKey is FVLUEADNSJOZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2.H2/c1-4-8-15-14(20)7-9-18-10-12(16-17-18)5-6-13(19)11(2)3;/h10-11H,4-9H2,1-3H3,(H,15,20);1H.
What are the key properties of 3-[4-(4-methyl-3-oxopentyl)triazol-1-yl]-N-propylpropanamide;molecular hydrogen?
3-[4-(4-methyl-3-oxopentyl)triazol-1-yl]-N-propylpropanamide;molecular hydrogen has a molecular weight of 282.39 g/mol, XLogP of 1.60, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methyl-3-oxopentyl)triazol-1-yl]-N-propylpropanamide;molecular hydrogen is sourced from PubChem (CID 178007494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).