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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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).