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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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).