2-[4-(1-aminopropyl)triazol-1-yl]-N-(propan-2-ylcarbamoyl)acetamide

C11H20N6O2 — CID 106228496

IUPAC2-[4-(1-aminopropyl)triazol-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
SMILESCCC(N)c1cn(CC(=O)NC(=O)NC(C)C)nn1
InChIInChI=1S/C11H20N6O2/c1-4-8(12)9-5-17(16-15-9)6-10(18)14-11(19)13-7(2)3/h5,7-8H,4,6,12H2,1-3H3,(H2,13,14,18,19)
InChIKeyDZDJDODHRCITRO-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.08
Rot. Bonds5

About 2-[4-(1-aminopropyl)triazol-1-yl]-N-(propan-2-ylcarbamoyl)acetamide

2-[4-(1-aminopropyl)triazol-1-yl]-N-(propan-2-ylcarbamoyl)acetamide (PubChem CID 106228496) has the molecular formula C11H20N6O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[4-(1-aminopropyl)triazol-1-yl]-N-(propan-2-ylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-(1-aminopropyl)triazol-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
PubChem CID106228496
Molecular FormulaC11H20N6O2
Molecular Weight268.32 g/mol
Exact Mass268.16
IUPAC Name2-[4-(1-aminopropyl)triazol-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
SMILESCCC(N)c1cn(CC(=O)NC(=O)NC(C)C)nn1
InChIInChI=1S/C11H20N6O2/c1-4-8(12)9-5-17(16-15-9)6-10(18)14-11(19)13-7(2)3/h5,7-8H,4,6,12H2,1-3H3,(H2,13,14,18,19)
InChIKeyDZDJDODHRCITRO-UHFFFAOYSA-N
XLogP-0.08
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(1-aminopropyl)triazol-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 106227951
3-[4-(1-aminopropyl)triazol-1-yl]-N-carbamoylpropanamide
CID 106227966
2-[4-(1-aminopropyl)triazol-1-yl]-N-cyclohexylacetamide
CID 106227686
2-[4-(1-aminopropyl)triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 106228504
2-(4-formyltriazol-1-yl)-N-(propan-2-ylcarbamoyl)acetamide
CID 66214600
2-[4-(1-aminobutyl)triazol-1-yl]-N-(tert-butylcarbamoyl)acetamide
CID 106229672
2-[4-(methylaminomethyl)triazol-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 66214238
2-[4-(1-aminopropyl)triazol-1-yl]-N-(4-chlorophenyl)acetamide
CID 106227465
2-[4-(1-aminopropyl)triazol-1-yl]-N-(5-bromo-2-pyridinyl)acetamide
CID 106227521
2-[4-(1-aminopropyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 106227595
2-[4-(1-aminopropyl)triazol-1-yl]-1-(azocan-1-yl)ethanone
CID 106227802
2-[4-(1-aminopropyl)triazol-1-yl]-N-(3-chlorophenyl)acetamide
CID 106227786

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminopropyl)triazol-1-yl]-N-(propan-2-ylcarbamoyl)acetamide?
The IUPAC name of 2-[4-(1-aminopropyl)triazol-1-yl]-N-(propan-2-ylcarbamoyl)acetamide (CID 106228496) is 2-[4-(1-aminopropyl)triazol-1-yl]-N-(propan-2-ylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-(1-aminopropyl)triazol-1-yl]-N-(propan-2-ylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-(1-aminopropyl)triazol-1-yl]-N-(propan-2-ylcarbamoyl)acetamide is CCC(N)c1cn(CC(=O)NC(=O)NC(C)C)nn1.
What is the InChIKey of 2-[4-(1-aminopropyl)triazol-1-yl]-N-(propan-2-ylcarbamoyl)acetamide?
The InChIKey is DZDJDODHRCITRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O2/c1-4-8(12)9-5-17(16-15-9)6-10(18)14-11(19)13-7(2)3/h5,7-8H,4,6,12H2,1-3H3,(H2,13,14,18,19).
What are the key properties of 2-[4-(1-aminopropyl)triazol-1-yl]-N-(propan-2-ylcarbamoyl)acetamide?
2-[4-(1-aminopropyl)triazol-1-yl]-N-(propan-2-ylcarbamoyl)acetamide has a molecular weight of 268.32 g/mol, XLogP of -0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminopropyl)triazol-1-yl]-N-(propan-2-ylcarbamoyl)acetamide is sourced from PubChem (CID 106228496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).