2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-propan-2-ylacetamide

C11H21N5O2 — CID 66270629

IUPAC2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNCc1cn(CCCO)nn1
InChIInChI=1S/C11H21N5O2/c1-9(2)13-11(18)7-12-6-10-8-16(15-14-10)4-3-5-17/h8-9,12,17H,3-7H2,1-2H3,(H,13,18)
InChIKeyVKTIGHIXCXZIAT-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.73
Rot. Bonds8

About 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-propan-2-ylacetamide

2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-propan-2-ylacetamide (PubChem CID 66270629) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-propan-2-ylacetamide
PubChem CID66270629
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC Name2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNCc1cn(CCCO)nn1
InChIInChI=1S/C11H21N5O2/c1-9(2)13-11(18)7-12-6-10-8-16(15-14-10)4-3-5-17/h8-9,12,17H,3-7H2,1-2H3,(H,13,18)
InChIKeyVKTIGHIXCXZIAT-UHFFFAOYSA-N
XLogP-0.73
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylacetamide
CID 66269111
methyl 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]acetate
CID 66268145
3-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]propan-1-ol
CID 104759251
3-[4-[(2,3,3-trimethylbutylamino)methyl]triazol-1-yl]propan-1-ol
CID 83143100
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]propan-1-ol
CID 66269866
3-[4-[(2-aminoethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268362
3-[4-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]triazol-1-yl]propan-1-ol
CID 66270310
3-[4-[(4-methylpentan-2-ylamino)methyl]triazol-1-yl]propan-1-ol
CID 66269304
2-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-N-propylacetamide
CID 66269035
3-[4-[(cyclobutylmethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268921
3-[4-[(hexylamino)methyl]triazol-1-yl]propan-1-ol
CID 66270242
2-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-N,N-dimethylacetamide
CID 66270736

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-propan-2-ylacetamide (CID 66270629) is 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNCc1cn(CCCO)nn1.
What is the InChIKey of 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-propan-2-ylacetamide?
The InChIKey is VKTIGHIXCXZIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2/c1-9(2)13-11(18)7-12-6-10-8-16(15-14-10)4-3-5-17/h8-9,12,17H,3-7H2,1-2H3,(H,13,18).
What are the key properties of 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-propan-2-ylacetamide?
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-propan-2-ylacetamide has a molecular weight of 255.32 g/mol, XLogP of -0.73, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 66270629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).