N-[2-[1-(3-aminopropyl)triazol-4-yl]ethyl]propanamide;ethane

C12H25N5O — CID 163400080

IUPACN-[2-[1-(3-aminopropyl)triazol-4-yl]ethyl]propanamide;ethane
SMILESCC.CCC(=O)NCCc1cn(CCCN)nn1
InChIInChI=1S/C10H19N5O.C2H6/c1-2-10(16)12-6-4-9-8-15(14-13-9)7-3-5-11;1-2/h8H,2-7,11H2,1H3,(H,12,16);1-2H3
InChIKeyBAWMQSWNFIXJQF-UHFFFAOYSA-N
MW255.37 g/mol
LogP0.72
Rot. Bonds7

About N-[2-[1-(3-aminopropyl)triazol-4-yl]ethyl]propanamide;ethane

N-[2-[1-(3-aminopropyl)triazol-4-yl]ethyl]propanamide;ethane (PubChem CID 163400080) has the molecular formula C12H25N5O and a molecular weight of 255.37 g/mol. Its IUPAC name is N-[2-[1-(3-aminopropyl)triazol-4-yl]ethyl]propanamide;ethane.

Molecular Properties

Compound NameN-[2-[1-(3-aminopropyl)triazol-4-yl]ethyl]propanamide;ethane
PubChem CID163400080
Molecular FormulaC12H25N5O
Molecular Weight255.37 g/mol
Exact Mass255.21
IUPAC NameN-[2-[1-(3-aminopropyl)triazol-4-yl]ethyl]propanamide;ethane
SMILESCC.CCC(=O)NCCc1cn(CCCN)nn1
InChIInChI=1S/C10H19N5O.C2H6/c1-2-10(16)12-6-4-9-8-15(14-13-9)7-3-5-11;1-2/h8H,2-7,11H2,1H3,(H,12,16);1-2H3
InChIKeyBAWMQSWNFIXJQF-UHFFFAOYSA-N
XLogP0.72
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(3-aminopropyl)triazol-4-yl]-N-methylpropanamide
CID 139444913
N-[3-[4-(aminomethyl)triazol-1-yl]propyl]pentanamide
CID 167455307
N-[2-[1-[3-(ethylamino)propyl]triazol-4-yl]ethyl]acetamide
CID 170201876
2-(1-pentyltriazol-4-yl)ethanamine
CID 116641934
4-(1-hexyltriazol-4-yl)butan-1-amine
CID 104539137
4-(1-heptyltriazol-4-yl)butan-1-amine
CID 104539279
4-(1-nonyltriazol-4-yl)butan-1-amine
CID 104539136
butane;heptan-3-one;1-methylselanylhexan-2-one;2-methylselanyl-N-[2-(1-propyltriazol-4-yl)ethyl]acetamide;N-[2-(1-propyltriazol-4-yl)ethyl]propanamide
CID 157140985
2-[1-(3-aminopropyl)triazol-4-yl]acetic acid
CID 107461829
2-[4-(3-aminopropyl)triazol-1-yl]-N-(2-methoxyethyl)acetamide
CID 106220901
2-[4-(3-aminopropyl)triazol-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 106220974
2-[4-(4-aminobutyl)triazol-1-yl]-N-methylacetamide
CID 106209353

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3-aminopropyl)triazol-4-yl]ethyl]propanamide;ethane?
The IUPAC name of N-[2-[1-(3-aminopropyl)triazol-4-yl]ethyl]propanamide;ethane (CID 163400080) is N-[2-[1-(3-aminopropyl)triazol-4-yl]ethyl]propanamide;ethane.
What is the SMILES notation for N-[2-[1-(3-aminopropyl)triazol-4-yl]ethyl]propanamide;ethane?
The canonical SMILES for N-[2-[1-(3-aminopropyl)triazol-4-yl]ethyl]propanamide;ethane is CC.CCC(=O)NCCc1cn(CCCN)nn1.
What is the InChIKey of N-[2-[1-(3-aminopropyl)triazol-4-yl]ethyl]propanamide;ethane?
The InChIKey is BAWMQSWNFIXJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O.C2H6/c1-2-10(16)12-6-4-9-8-15(14-13-9)7-3-5-11;1-2/h8H,2-7,11H2,1H3,(H,12,16);1-2H3.
What are the key properties of N-[2-[1-(3-aminopropyl)triazol-4-yl]ethyl]propanamide;ethane?
N-[2-[1-(3-aminopropyl)triazol-4-yl]ethyl]propanamide;ethane has a molecular weight of 255.37 g/mol, XLogP of 0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3-aminopropyl)triazol-4-yl]ethyl]propanamide;ethane is sourced from PubChem (CID 163400080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).