2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoylamino]propanediamide

C12H15N7O3 — CID 154774195

IUPAC2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoylamino]propanediamide
SMILESCC(NC(=O)NC(C(N)=O)C(N)=O)c1nnc2ccccn12
InChIInChI=1S/C12H15N7O3/c1-6(11-18-17-7-4-2-3-5-19(7)11)15-12(22)16-8(9(13)20)10(14)21/h2-6,8H,1H3,(H2,13,20)(H2,14,21)(H2,15,16,22)
InChIKeyWRYYIVXLIGIKSP-UHFFFAOYSA-N
MW305.30 g/mol
LogP-1.57
Rot. Bonds5

About 2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoylamino]propanediamide

2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoylamino]propanediamide (PubChem CID 154774195) has the molecular formula C12H15N7O3 and a molecular weight of 305.30 g/mol. Its IUPAC name is 2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoylamino]propanediamide.

Molecular Properties

Compound Name2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoylamino]propanediamide
PubChem CID154774195
Molecular FormulaC12H15N7O3
Molecular Weight305.30 g/mol
Exact Mass305.12
IUPAC Name2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoylamino]propanediamide
SMILESCC(NC(=O)NC(C(N)=O)C(N)=O)c1nnc2ccccn12
InChIInChI=1S/C12H15N7O3/c1-6(11-18-17-7-4-2-3-5-19(7)11)15-12(22)16-8(9(13)20)10(14)21/h2-6,8H,1H3,(H2,13,20)(H2,14,21)(H2,15,16,22)
InChIKeyWRYYIVXLIGIKSP-UHFFFAOYSA-N
XLogP-1.57
TPSA157.50 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 5-1.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 62492143
2-amino-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 43703564
1-benzyl-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 47012876
2-(methylamino)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 55097089
2,2-diphenyl-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 7692945
2-amino-4-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentanamide
CID 43703576
4-hydroxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentanamide
CID 79200415
3,3-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 47013028
tert-butyl N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]carbamate
CID 12000312
1-(2-hydroxypentyl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 111337892
2-amino-2-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentanamide;dihydrochloride
CID 119836867
2-(4-hydroxyphenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 78820554

Frequently Asked Questions

What is the IUPAC name of 2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoylamino]propanediamide?
The IUPAC name of 2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoylamino]propanediamide (CID 154774195) is 2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoylamino]propanediamide.
What is the SMILES notation for 2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoylamino]propanediamide?
The canonical SMILES for 2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoylamino]propanediamide is CC(NC(=O)NC(C(N)=O)C(N)=O)c1nnc2ccccn12.
What is the InChIKey of 2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoylamino]propanediamide?
The InChIKey is WRYYIVXLIGIKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7O3/c1-6(11-18-17-7-4-2-3-5-19(7)11)15-12(22)16-8(9(13)20)10(14)21/h2-6,8H,1H3,(H2,13,20)(H2,14,21)(H2,15,16,22).
What are the key properties of 2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoylamino]propanediamide?
2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoylamino]propanediamide has a molecular weight of 305.30 g/mol, XLogP of -1.57, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoylamino]propanediamide is sourced from PubChem (CID 154774195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).