3-[(3-methyltriazol-4-yl)amino]propanamide

C6H11N5O — CID 130486194

IUPAC3-[(3-methyltriazol-4-yl)amino]propanamide
SMILESCn1nncc1NCCC(N)=O
InChIInChI=1S/C6H11N5O/c1-11-6(4-9-10-11)8-3-2-5(7)12/h4,8H,2-3H2,1H3,(H2,7,12)
InChIKeyZUKLJORRJLTSGY-UHFFFAOYSA-N
MW169.19 g/mol
LogP-0.90
Rot. Bonds4

About 3-[(3-methyltriazol-4-yl)amino]propanamide

3-[(3-methyltriazol-4-yl)amino]propanamide (PubChem CID 130486194) has the molecular formula C6H11N5O and a molecular weight of 169.19 g/mol. Its IUPAC name is 3-[(3-methyltriazol-4-yl)amino]propanamide.

Molecular Properties

Compound Name3-[(3-methyltriazol-4-yl)amino]propanamide
PubChem CID130486194
Molecular FormulaC6H11N5O
Molecular Weight169.19 g/mol
Exact Mass169.10
IUPAC Name3-[(3-methyltriazol-4-yl)amino]propanamide
SMILESCn1nncc1NCCC(N)=O
InChIInChI=1S/C6H11N5O/c1-11-6(4-9-10-11)8-3-2-5(7)12/h4,8H,2-3H2,1H3,(H2,7,12)
InChIKeyZUKLJORRJLTSGY-UHFFFAOYSA-N
XLogP-0.90
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyltriazol-4-yl)amino]propanamide?
The IUPAC name of 3-[(3-methyltriazol-4-yl)amino]propanamide (CID 130486194) is 3-[(3-methyltriazol-4-yl)amino]propanamide.
What is the SMILES notation for 3-[(3-methyltriazol-4-yl)amino]propanamide?
The canonical SMILES for 3-[(3-methyltriazol-4-yl)amino]propanamide is Cn1nncc1NCCC(N)=O.
What is the InChIKey of 3-[(3-methyltriazol-4-yl)amino]propanamide?
The InChIKey is ZUKLJORRJLTSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O/c1-11-6(4-9-10-11)8-3-2-5(7)12/h4,8H,2-3H2,1H3,(H2,7,12).
What are the key properties of 3-[(3-methyltriazol-4-yl)amino]propanamide?
3-[(3-methyltriazol-4-yl)amino]propanamide has a molecular weight of 169.19 g/mol, XLogP of -0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyltriazol-4-yl)amino]propanamide is sourced from PubChem (CID 130486194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).