2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)acetamide

C13H16N6O — CID 61113725

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)acetamide
SMILESNc1ncn(CC(=O)N(Cc2ccncc2)C2CC2)n1
InChIInChI=1S/C13H16N6O/c14-13-16-9-18(17-13)8-12(20)19(11-1-2-11)7-10-3-5-15-6-4-10/h3-6,9,11H,1-2,7-8H2,(H2,14,17)
InChIKeyXXDJIJYJDKETLC-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.45
Rot. Bonds5

About 2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)acetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 61113725) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)acetamide
PubChem CID61113725
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)acetamide
SMILESNc1ncn(CC(=O)N(Cc2ccncc2)C2CC2)n1
InChIInChI=1S/C13H16N6O/c14-13-16-9-18(17-13)8-12(20)19(11-1-2-11)7-10-3-5-15-6-4-10/h3-6,9,11H,1-2,7-8H2,(H2,14,17)
InChIKeyXXDJIJYJDKETLC-UHFFFAOYSA-N
XLogP0.45
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]acetamide
CID 61140518
2-(3-amino-1,2,4-triazol-1-yl)-N-[(2-bromophenyl)methyl]-N-cyclopropylacetamide
CID 61106358
N-cyclopropyl-2-imidazol-1-yl-N-(pyridin-4-ylmethyl)acetamide
CID 91777308
3-[cyclopropyl(pyridin-4-ylmethyl)amino]-3-oxopropanoic acid
CID 62230754
(3R)-3-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)butanamide
CID 93368626
N-cyclopropyl-2-(cyclopropylmethylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 54869783
2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopentyl-N-methylacetamide
CID 61016829
6-[cyclopropyl(pyridin-4-ylmethyl)amino]-6-oxohexanoic acid
CID 60953865
2-(1-aminocyclopentyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)acetamide
CID 64685662
N-cyclopropyl-2-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 47011276
2-[2-[cyclopropyl(pyridin-4-ylmethyl)amino]-2-oxoethoxy]acetic acid
CID 61327867
2-chloro-N-cyclopropyl-2-fluoro-N-(pyridin-4-ylmethyl)acetamide
CID 167754693

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)acetamide (CID 61113725) is 2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)acetamide is Nc1ncn(CC(=O)N(Cc2ccncc2)C2CC2)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is XXDJIJYJDKETLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c14-13-16-9-18(17-13)8-12(20)19(11-1-2-11)7-10-3-5-15-6-4-10/h3-6,9,11H,1-2,7-8H2,(H2,14,17).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 272.31 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 61113725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).