2-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-N-propylacetamide

C10H19N5O2 — CID 66269035

IUPAC2-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-N-propylacetamide
SMILESCCCNC(=O)CNCc1cn(CCO)nn1
InChIInChI=1S/C10H19N5O2/c1-2-3-12-10(17)7-11-6-9-8-15(4-5-16)14-13-9/h8,11,16H,2-7H2,1H3,(H,12,17)
InChIKeySPWUMKPSUANIFW-UHFFFAOYSA-N
MW241.29 g/mol
LogP-1.11
Rot. Bonds8

About 2-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-N-propylacetamide

2-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-N-propylacetamide (PubChem CID 66269035) has the molecular formula C10H19N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-N-propylacetamide
PubChem CID66269035
Molecular FormulaC10H19N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC Name2-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-N-propylacetamide
SMILESCCCNC(=O)CNCc1cn(CCO)nn1
InChIInChI=1S/C10H19N5O2/c1-2-3-12-10(17)7-11-6-9-8-15(4-5-16)14-13-9/h8,11,16H,2-7H2,1H3,(H,12,17)
InChIKeySPWUMKPSUANIFW-UHFFFAOYSA-N
XLogP-1.11
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-N,N-dimethylacetamide
CID 66270736
2-[4-[[[2-oxo-2-(propylamino)ethyl]carbamoylamino]methyl]triazol-1-yl]acetic acid
CID 115458538
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylacetamide
CID 66269111
2-[4-(2-hydroxyethyl)triazol-1-yl]-N-propylacetamide
CID 62399435
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-propan-2-ylacetamide
CID 66270629
N-[(1-pentyltriazol-4-yl)methyl]propan-1-amine
CID 66194122
2-[4-[(2-methylsulfanylethylamino)methyl]triazol-1-yl]ethanol
CID 66270211
3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2,2-dimethylpropanamide
CID 114167058
2-[4-[[3-(diethylamino)propylamino]methyl]triazol-1-yl]ethanol
CID 66268074
methyl 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]acetate
CID 66268145
6-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]hexan-1-ol
CID 114008894
2-[4-[(prop-2-ynylamino)methyl]triazol-1-yl]ethanol
CID 66270343

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-N-propylacetamide?
The IUPAC name of 2-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-N-propylacetamide (CID 66269035) is 2-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-N-propylacetamide?
The canonical SMILES for 2-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-N-propylacetamide is CCCNC(=O)CNCc1cn(CCO)nn1.
What is the InChIKey of 2-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-N-propylacetamide?
The InChIKey is SPWUMKPSUANIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-2-3-12-10(17)7-11-6-9-8-15(4-5-16)14-13-9/h8,11,16H,2-7H2,1H3,(H,12,17).
What are the key properties of 2-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-N-propylacetamide?
2-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-N-propylacetamide has a molecular weight of 241.29 g/mol, XLogP of -1.11, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-N-propylacetamide is sourced from PubChem (CID 66269035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).