2-(1,2,4-benzotriazin-3-ylamino)-N,N-diethylpropanamide

C14H19N5O — CID 103204462

IUPAC2-(1,2,4-benzotriazin-3-ylamino)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)Nc1nnc2ccccc2n1
InChIInChI=1S/C14H19N5O/c1-4-19(5-2)13(20)10(3)15-14-16-11-8-6-7-9-12(11)17-18-14/h6-10H,4-5H2,1-3H3,(H,15,16,18)
InChIKeySYEDYMKEICJHNP-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.69
Rot. Bonds5

About 2-(1,2,4-benzotriazin-3-ylamino)-N,N-diethylpropanamide

2-(1,2,4-benzotriazin-3-ylamino)-N,N-diethylpropanamide (PubChem CID 103204462) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(1,2,4-benzotriazin-3-ylamino)-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-(1,2,4-benzotriazin-3-ylamino)-N,N-diethylpropanamide
PubChem CID103204462
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-(1,2,4-benzotriazin-3-ylamino)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)Nc1nnc2ccccc2n1
InChIInChI=1S/C14H19N5O/c1-4-19(5-2)13(20)10(3)15-14-16-11-8-6-7-9-12(11)17-18-14/h6-10H,4-5H2,1-3H3,(H,15,16,18)
InChIKeySYEDYMKEICJHNP-UHFFFAOYSA-N
XLogP1.69
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-benzotriazin-3-ylamino)-N,N-diethylpropanamide?
The IUPAC name of 2-(1,2,4-benzotriazin-3-ylamino)-N,N-diethylpropanamide (CID 103204462) is 2-(1,2,4-benzotriazin-3-ylamino)-N,N-diethylpropanamide.
What is the SMILES notation for 2-(1,2,4-benzotriazin-3-ylamino)-N,N-diethylpropanamide?
The canonical SMILES for 2-(1,2,4-benzotriazin-3-ylamino)-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)Nc1nnc2ccccc2n1.
What is the InChIKey of 2-(1,2,4-benzotriazin-3-ylamino)-N,N-diethylpropanamide?
The InChIKey is SYEDYMKEICJHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-4-19(5-2)13(20)10(3)15-14-16-11-8-6-7-9-12(11)17-18-14/h6-10H,4-5H2,1-3H3,(H,15,16,18).
What are the key properties of 2-(1,2,4-benzotriazin-3-ylamino)-N,N-diethylpropanamide?
2-(1,2,4-benzotriazin-3-ylamino)-N,N-diethylpropanamide has a molecular weight of 273.34 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-benzotriazin-3-ylamino)-N,N-diethylpropanamide is sourced from PubChem (CID 103204462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).