2-(3-amino-1,2,4-triazol-1-yl)-N,N-bis(prop-2-enyl)acetamide

C10H15N5O — CID 61116990

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)Cn1cnc(N)n1
InChIInChI=1S/C10H15N5O/c1-3-5-14(6-4-2)9(16)7-15-8-12-10(11)13-15/h3-4,8H,1-2,5-7H2,(H2,11,13)
InChIKeyAOFXOFKFVRRDTB-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.06
Rot. Bonds6

About 2-(3-amino-1,2,4-triazol-1-yl)-N,N-bis(prop-2-enyl)acetamide

2-(3-amino-1,2,4-triazol-1-yl)-N,N-bis(prop-2-enyl)acetamide (PubChem CID 61116990) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N,N-bis(prop-2-enyl)acetamide
PubChem CID61116990
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)Cn1cnc(N)n1
InChIInChI=1S/C10H15N5O/c1-3-5-14(6-4-2)9(16)7-15-8-12-10(11)13-15/h3-4,8H,1-2,5-7H2,(H2,11,13)
InChIKeyAOFXOFKFVRRDTB-UHFFFAOYSA-N
XLogP0.06
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N,N-bis(prop-2-enyl)acetamide (CID 61116990) is 2-(3-amino-1,2,4-triazol-1-yl)-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)Cn1cnc(N)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is AOFXOFKFVRRDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-3-5-14(6-4-2)9(16)7-15-8-12-10(11)13-15/h3-4,8H,1-2,5-7H2,(H2,11,13).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N,N-bis(prop-2-enyl)acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 221.26 g/mol, XLogP of 0.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 61116990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).