4-[4-(1-aminopropyl)triazol-1-yl]-N,N-diethylbutanamide

C13H25N5O — CID 106228225

IUPAC4-[4-(1-aminopropyl)triazol-1-yl]-N,N-diethylbutanamide
SMILESCCC(N)c1cn(CCCC(=O)N(CC)CC)nn1
InChIInChI=1S/C13H25N5O/c1-4-11(14)12-10-18(16-15-12)9-7-8-13(19)17(5-2)6-3/h10-11H,4-9,14H2,1-3H3
InChIKeyBUIMKEDJNHYNLJ-UHFFFAOYSA-N
MW267.38 g/mol
LogP1.34
Rot. Bonds8

About 4-[4-(1-aminopropyl)triazol-1-yl]-N,N-diethylbutanamide

4-[4-(1-aminopropyl)triazol-1-yl]-N,N-diethylbutanamide (PubChem CID 106228225) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 4-[4-(1-aminopropyl)triazol-1-yl]-N,N-diethylbutanamide.

Molecular Properties

Compound Name4-[4-(1-aminopropyl)triazol-1-yl]-N,N-diethylbutanamide
PubChem CID106228225
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name4-[4-(1-aminopropyl)triazol-1-yl]-N,N-diethylbutanamide
SMILESCCC(N)c1cn(CCCC(=O)N(CC)CC)nn1
InChIInChI=1S/C13H25N5O/c1-4-11(14)12-10-18(16-15-12)9-7-8-13(19)17(5-2)6-3/h10-11H,4-9,14H2,1-3H3
InChIKeyBUIMKEDJNHYNLJ-UHFFFAOYSA-N
XLogP1.34
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(1-aminopropyl)triazol-1-yl]pentan-1-ol
CID 106227649
3-[4-(1-aminopropyl)triazol-1-yl]-N-carbamoylpropanamide
CID 106227966
1-[1-(2-ethylsulfonylethyl)triazol-4-yl]propan-1-amine
CID 106227430
ethyl 4-(4-propan-2-yltriazol-1-yl)butanoate
CID 164942287
1-(1-pentyltriazol-4-yl)butan-1-amine
CID 106228799
4-(4-propan-2-yltriazol-1-yl)butanoic acid
CID 164942263
1-[1-(2-phenylethyl)triazol-4-yl]propan-1-amine
CID 106227563
2-[4-(1-aminopropyl)triazol-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 106228496
2-[4-(1-aminopropyl)triazol-1-yl]-1-(azocan-1-yl)ethanone
CID 106227802
3-[4-(1-aminobutyl)triazol-1-yl]-N-methylpropanamide
CID 106228612
(1S)-1-(1-methyltriazol-4-yl)propan-1-amine;hydrochloride
CID 155858601
1-[1-(3-ethoxypropyl)triazol-4-yl]ethanamine
CID 114420179

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-aminopropyl)triazol-1-yl]-N,N-diethylbutanamide?
The IUPAC name of 4-[4-(1-aminopropyl)triazol-1-yl]-N,N-diethylbutanamide (CID 106228225) is 4-[4-(1-aminopropyl)triazol-1-yl]-N,N-diethylbutanamide.
What is the SMILES notation for 4-[4-(1-aminopropyl)triazol-1-yl]-N,N-diethylbutanamide?
The canonical SMILES for 4-[4-(1-aminopropyl)triazol-1-yl]-N,N-diethylbutanamide is CCC(N)c1cn(CCCC(=O)N(CC)CC)nn1.
What is the InChIKey of 4-[4-(1-aminopropyl)triazol-1-yl]-N,N-diethylbutanamide?
The InChIKey is BUIMKEDJNHYNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-4-11(14)12-10-18(16-15-12)9-7-8-13(19)17(5-2)6-3/h10-11H,4-9,14H2,1-3H3.
What are the key properties of 4-[4-(1-aminopropyl)triazol-1-yl]-N,N-diethylbutanamide?
4-[4-(1-aminopropyl)triazol-1-yl]-N,N-diethylbutanamide has a molecular weight of 267.38 g/mol, XLogP of 1.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-aminopropyl)triazol-1-yl]-N,N-diethylbutanamide is sourced from PubChem (CID 106228225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).