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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Related Compounds

N-(3-methyltriazol-4-yl)acetamide
CID 12415545
N-(1-pyrrolidin-3-yltriazol-4-yl)acetamide
CID 84023950
N-(1-methyltriazol-4-yl)propanamide
CID 112535352
2,2-dimethyl-N-(1-methyltriazol-4-yl)propanamide
CID 112535392
2-methyl-N-(1-methyltriazol-4-yl)propanamide
CID 112535394
2-methyl-N-(3-methyltriazol-4-yl)prop-2-enamide
CID 118438303
N-(3-ethyltriazol-4-yl)acetamide
CID 130383028
2-methyl-N-[3-(2-methylpropyl)triazol-4-yl]propanamide
CID 137470675
2-methyl-N-[1-(2-methylpropyl)triazol-4-yl]propanamide
CID 140915628
2-methyl-N-[2-[5-(methylamino)triazol-1-yl]ethyl]propanamide
CID 141697502
N-[2-[5-(ethylamino)triazol-1-yl]ethyl]-2-iodopropanamide
CID 155426839
2-methyl-N-[1-[3-(propan-2-ylamino)propyl]triazol-4-yl]propanamide
CID 167375510

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).