2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide

C10H19N5O — CID 66192869

IUPAC2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide
SMILESCC(C)CNCc1cn(C(C)C(N)=O)nn1
InChIInChI=1S/C10H19N5O/c1-7(2)4-12-5-9-6-15(14-13-9)8(3)10(11)16/h6-8,12H,4-5H2,1-3H3,(H2,11,16)
InChIKeyUMZOGTICQYVCPU-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.07
Rot. Bonds6

About 2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide

2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide (PubChem CID 66192869) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide.

Molecular Properties

Compound Name2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide
PubChem CID66192869
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide
SMILESCC(C)CNCc1cn(C(C)C(N)=O)nn1
InChIInChI=1S/C10H19N5O/c1-7(2)4-12-5-9-6-15(14-13-9)8(3)10(11)16/h6-8,12H,4-5H2,1-3H3,(H2,11,16)
InChIKeyUMZOGTICQYVCPU-UHFFFAOYSA-N
XLogP0.07
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide?
The IUPAC name of 2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide (CID 66192869) is 2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide.
What is the SMILES notation for 2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide?
The canonical SMILES for 2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide is CC(C)CNCc1cn(C(C)C(N)=O)nn1.
What is the InChIKey of 2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide?
The InChIKey is UMZOGTICQYVCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-7(2)4-12-5-9-6-15(14-13-9)8(3)10(11)16/h6-8,12H,4-5H2,1-3H3,(H2,11,16).
What are the key properties of 2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide?
2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide has a molecular weight of 225.30 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide is sourced from PubChem (CID 66192869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).