3-[4-(1-aminoethyl)triazol-1-yl]-N-propan-2-ylpropanamide

C10H19N5O — CID 114420013

IUPAC3-[4-(1-aminoethyl)triazol-1-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCn1cc(C(C)N)nn1
InChIInChI=1S/C10H19N5O/c1-7(2)12-10(16)4-5-15-6-9(8(3)11)13-14-15/h6-8H,4-5,11H2,1-3H3,(H,12,16)
InChIKeyFPOSAUAWYVHGEM-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.21
Rot. Bonds5

About 3-[4-(1-aminoethyl)triazol-1-yl]-N-propan-2-ylpropanamide

3-[4-(1-aminoethyl)triazol-1-yl]-N-propan-2-ylpropanamide (PubChem CID 114420013) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 3-[4-(1-aminoethyl)triazol-1-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[4-(1-aminoethyl)triazol-1-yl]-N-propan-2-ylpropanamide
PubChem CID114420013
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name3-[4-(1-aminoethyl)triazol-1-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCn1cc(C(C)N)nn1
InChIInChI=1S/C10H19N5O/c1-7(2)12-10(16)4-5-15-6-9(8(3)11)13-14-15/h6-8H,4-5,11H2,1-3H3,(H,12,16)
InChIKeyFPOSAUAWYVHGEM-UHFFFAOYSA-N
XLogP0.21
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(1-aminoethyl)triazol-1-yl]-N-ethylpropanamide
CID 114419407
3-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-propan-2-ylpropanamide
CID 63999720
4-[4-(1-aminoethyl)triazol-1-yl]butan-2-ol
CID 114419575
3-[4-(1-aminopropyl)triazol-1-yl]-N-carbamoylpropanamide
CID 106227966
1-[1-(2-aminoethyl)triazol-4-yl]ethanamine
CID 114419716
1-[1-(2-methylsulfonylethyl)triazol-4-yl]ethanamine
CID 114419540
2-[4-[(1R)-1-aminoethyl]triazol-1-yl]acetic acid
CID 96739590
2-[4-(1-aminoethyl)triazol-1-yl]-N-(5-methylhexan-2-yl)acetamide
CID 114419810
3-[4-(1-aminobutyl)triazol-1-yl]-N-methylpropanamide
CID 106228612
3-[4-(1-aminoethyl)triazol-1-yl]propan-1-amine
CID 114419828
2-[4-(1-aminoethyl)triazol-1-yl]-N-cyclohexylacetamide
CID 114420022
N-(2-acetamidoethyl)-2-[4-(1-aminoethyl)triazol-1-yl]acetamide
CID 114419547

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-aminoethyl)triazol-1-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[4-(1-aminoethyl)triazol-1-yl]-N-propan-2-ylpropanamide (CID 114420013) is 3-[4-(1-aminoethyl)triazol-1-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[4-(1-aminoethyl)triazol-1-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[4-(1-aminoethyl)triazol-1-yl]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCn1cc(C(C)N)nn1.
What is the InChIKey of 3-[4-(1-aminoethyl)triazol-1-yl]-N-propan-2-ylpropanamide?
The InChIKey is FPOSAUAWYVHGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-7(2)12-10(16)4-5-15-6-9(8(3)11)13-14-15/h6-8H,4-5,11H2,1-3H3,(H,12,16).
What are the key properties of 3-[4-(1-aminoethyl)triazol-1-yl]-N-propan-2-ylpropanamide?
3-[4-(1-aminoethyl)triazol-1-yl]-N-propan-2-ylpropanamide has a molecular weight of 225.30 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-aminoethyl)triazol-1-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 114420013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).