N-(2-aminoethyl)-3-(3-oxo-4H-pyrido[2,1-c][1,2,4]triazin-2-yl)propanamide

C12H17N5O2 — CID 82151617

IUPACN-(2-aminoethyl)-3-(3-oxo-4H-pyrido[2,1-c][1,2,4]triazin-2-yl)propanamide
SMILESNCCNC(=O)CCN1N=C2C=CC=CN2CC1=O
InChIInChI=1S/C12H17N5O2/c13-5-6-14-11(18)4-8-17-12(19)9-16-7-2-1-3-10(16)15-17/h1-3,7H,4-6,8-9,13H2,(H,14,18)
InChIKeyJHWYCIDABQAMLQ-UHFFFAOYSA-N
MW263.30 g/mol
LogP-1.01
Rot. Bonds5

About N-(2-aminoethyl)-3-(3-oxo-4H-pyrido[2,1-c][1,2,4]triazin-2-yl)propanamide

N-(2-aminoethyl)-3-(3-oxo-4H-pyrido[2,1-c][1,2,4]triazin-2-yl)propanamide (PubChem CID 82151617) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(3-oxo-4H-pyrido[2,1-c][1,2,4]triazin-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(3-oxo-4H-pyrido[2,1-c][1,2,4]triazin-2-yl)propanamide
PubChem CID82151617
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC NameN-(2-aminoethyl)-3-(3-oxo-4H-pyrido[2,1-c][1,2,4]triazin-2-yl)propanamide
SMILESNCCNC(=O)CCN1N=C2C=CC=CN2CC1=O
InChIInChI=1S/C12H17N5O2/c13-5-6-14-11(18)4-8-17-12(19)9-16-7-2-1-3-10(16)15-17/h1-3,7H,4-6,8-9,13H2,(H,14,18)
InChIKeyJHWYCIDABQAMLQ-UHFFFAOYSA-N
XLogP-1.01
TPSA91.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(3-oxo-4H-pyrido[2,1-c][1,2,4]triazin-2-yl)propanamide?
The IUPAC name of N-(2-aminoethyl)-3-(3-oxo-4H-pyrido[2,1-c][1,2,4]triazin-2-yl)propanamide (CID 82151617) is N-(2-aminoethyl)-3-(3-oxo-4H-pyrido[2,1-c][1,2,4]triazin-2-yl)propanamide.
What is the SMILES notation for N-(2-aminoethyl)-3-(3-oxo-4H-pyrido[2,1-c][1,2,4]triazin-2-yl)propanamide?
The canonical SMILES for N-(2-aminoethyl)-3-(3-oxo-4H-pyrido[2,1-c][1,2,4]triazin-2-yl)propanamide is NCCNC(=O)CCN1N=C2C=CC=CN2CC1=O.
What is the InChIKey of N-(2-aminoethyl)-3-(3-oxo-4H-pyrido[2,1-c][1,2,4]triazin-2-yl)propanamide?
The InChIKey is JHWYCIDABQAMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c13-5-6-14-11(18)4-8-17-12(19)9-16-7-2-1-3-10(16)15-17/h1-3,7H,4-6,8-9,13H2,(H,14,18).
What are the key properties of N-(2-aminoethyl)-3-(3-oxo-4H-pyrido[2,1-c][1,2,4]triazin-2-yl)propanamide?
N-(2-aminoethyl)-3-(3-oxo-4H-pyrido[2,1-c][1,2,4]triazin-2-yl)propanamide has a molecular weight of 263.30 g/mol, XLogP of -1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(3-oxo-4H-pyrido[2,1-c][1,2,4]triazin-2-yl)propanamide is sourced from PubChem (CID 82151617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).