N-tert-butyl-3-[(3-ethyltriazol-4-yl)amino]propanamide

C11H21N5O — CID 114222593

IUPACN-tert-butyl-3-[(3-ethyltriazol-4-yl)amino]propanamide
SMILESCCn1nncc1NCCC(=O)NC(C)(C)C
InChIInChI=1S/C11H21N5O/c1-5-16-9(8-13-15-16)12-7-6-10(17)14-11(2,3)4/h8,12H,5-7H2,1-4H3,(H,14,17)
InChIKeySYZNNEWMAWNZCP-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.01
Rot. Bonds5

About N-tert-butyl-3-[(3-ethyltriazol-4-yl)amino]propanamide

N-tert-butyl-3-[(3-ethyltriazol-4-yl)amino]propanamide (PubChem CID 114222593) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is N-tert-butyl-3-[(3-ethyltriazol-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[(3-ethyltriazol-4-yl)amino]propanamide
PubChem CID114222593
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC NameN-tert-butyl-3-[(3-ethyltriazol-4-yl)amino]propanamide
SMILESCCn1nncc1NCCC(=O)NC(C)(C)C
InChIInChI=1S/C11H21N5O/c1-5-16-9(8-13-15-16)12-7-6-10(17)14-11(2,3)4/h8,12H,5-7H2,1-4H3,(H,14,17)
InChIKeySYZNNEWMAWNZCP-UHFFFAOYSA-N
XLogP1.01
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[(3-ethyltriazol-4-yl)amino]propanamide?
The IUPAC name of N-tert-butyl-3-[(3-ethyltriazol-4-yl)amino]propanamide (CID 114222593) is N-tert-butyl-3-[(3-ethyltriazol-4-yl)amino]propanamide.
What is the SMILES notation for N-tert-butyl-3-[(3-ethyltriazol-4-yl)amino]propanamide?
The canonical SMILES for N-tert-butyl-3-[(3-ethyltriazol-4-yl)amino]propanamide is CCn1nncc1NCCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-[(3-ethyltriazol-4-yl)amino]propanamide?
The InChIKey is SYZNNEWMAWNZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-5-16-9(8-13-15-16)12-7-6-10(17)14-11(2,3)4/h8,12H,5-7H2,1-4H3,(H,14,17).
What are the key properties of N-tert-butyl-3-[(3-ethyltriazol-4-yl)amino]propanamide?
N-tert-butyl-3-[(3-ethyltriazol-4-yl)amino]propanamide has a molecular weight of 239.32 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[(3-ethyltriazol-4-yl)amino]propanamide is sourced from PubChem (CID 114222593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).